benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine

C47H49N5 — CID 142425010

IUPACbenzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine
SMILESCc1cccc2cccc(-c3ccc(/C(N)=C/Cc4ccccc4)cc3)c12.NCc1ccccc1.NCc1ccccc1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C26H23N.C7H8N2.2C7H9N/c1-19-7-5-10-23-11-6-12-24(26(19)23)21-14-16-22(17-15-21)25(27)18-13-20-8-3-2-4-9-20;8-7(9)6-4-2-1-3-5-6;2*8-6-7-4-2-1-3-5-7/h2-12,14-18H,13,27H2,1H3;1-5H,(H3,8,9);2*1-5H,6,8H2/b25-18-;;;
InChIKeyUEWBVIRQPJLGLE-GYQFRMCNSA-N
MW683.94 g/mol
LogP9.62
Rot. Bonds7

About benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine

benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine (PubChem CID 142425010) has the molecular formula C47H49N5 and a molecular weight of 683.94 g/mol. Its IUPAC name is benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine.

Molecular Properties

Compound Namebenzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine
PubChem CID142425010
Molecular FormulaC47H49N5
Molecular Weight683.94 g/mol
Exact Mass683.40
IUPAC Namebenzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine
SMILESCc1cccc2cccc(-c3ccc(/C(N)=C/Cc4ccccc4)cc3)c12.NCc1ccccc1.NCc1ccccc1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C26H23N.C7H8N2.2C7H9N/c1-19-7-5-10-23-11-6-12-24(26(19)23)21-14-16-22(17-15-21)25(27)18-13-20-8-3-2-4-9-20;8-7(9)6-4-2-1-3-5-6;2*8-6-7-4-2-1-3-5-7/h2-12,14-18H,13,27H2,1H3;1-5H,(H3,8,9);2*1-5H,6,8H2/b25-18-;;;
InChIKeyUEWBVIRQPJLGLE-GYQFRMCNSA-N
XLogP9.62
TPSA127.93 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.94
LogP ≤ 59.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z,3E)-5-[4-(8-methylnaphthalen-1-yl)phenyl]-1,3-diphenylpenta-1,3-dien-1-amine
CID 142425146
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
4-(3-methylphenyl)-6-phenyldibenzofuran;4-phenylbenzenecarboximidamide;phenylmethanamine
CID 142481954
(1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine
CID 142425192
benzenecarboximidamide;toluene
CID 158219006
(Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine
CID 143099574
ethane;4-phenylbenzenecarboximidamide
CID 91221015
benzenecarboximidamide;[2-(4,6-diphenylpyrimidin-2-yl)phenyl]methanamine;toluene
CID 145303404
(Z)-1-[4-[1-[2-[4-[(2-benzylhydrazinyl)methyl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-3-phenylprop-1-en-1-amine
CID 145327197
1-(4-fluorophenyl)-8-methylnaphthalene
CID 57338261
4-[(2-methylphenyl)methyl]benzenecarboximidamide
CID 54485744
1-chloro-3-(3-methylphenyl)benzene;(Z)-1,3-diphenylprop-1-en-1-amine
CID 145299888

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine?
The IUPAC name of benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine (CID 142425010) is benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine.
What is the SMILES notation for benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine?
The canonical SMILES for benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine is Cc1cccc2cccc(-c3ccc(/C(N)=C/Cc4ccccc4)cc3)c12.NCc1ccccc1.NCc1ccccc1.[H]/N=C(\N)c1ccccc1.
What is the InChIKey of benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine?
The InChIKey is UEWBVIRQPJLGLE-GYQFRMCNSA-N. The full InChI is InChI=1S/C26H23N.C7H8N2.2C7H9N/c1-19-7-5-10-23-11-6-12-24(26(19)23)21-14-16-22(17-15-21)25(27)18-13-20-8-3-2-4-9-20;8-7(9)6-4-2-1-3-5-6;2*8-6-7-4-2-1-3-5-7/h2-12,14-18H,13,27H2,1H3;1-5H,(H3,8,9);2*1-5H,6,8H2/b25-18-;;;.
What are the key properties of benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine?
benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine has a molecular weight of 683.94 g/mol, XLogP of 9.62, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine is sourced from PubChem (CID 142425010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).