N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine

C26H29NO — CID 19028807

IUPACN-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine
SMILESCc1cccc(CNCCCC2(c3ccccc3)COCc3ccccc32)c1
InChIInChI=1S/C26H29NO/c1-21-9-7-10-22(17-21)18-27-16-8-15-26(24-12-3-2-4-13-24)20-28-19-23-11-5-6-14-25(23)26/h2-7,9-14,17,27H,8,15-16,18-20H2,1H3
InChIKeyCYAOTCMSJJZPQD-UHFFFAOYSA-N
MW371.52 g/mol
LogP5.38
Rot. Bonds7

About N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine

N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine (PubChem CID 19028807) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine
PubChem CID19028807
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC NameN-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine
SMILESCc1cccc(CNCCCC2(c3ccccc3)COCc3ccccc32)c1
InChIInChI=1S/C26H29NO/c1-21-9-7-10-22(17-21)18-27-16-8-15-26(24-12-3-2-4-13-24)20-28-19-23-11-5-6-14-25(23)26/h2-7,9-14,17,27H,8,15-16,18-20H2,1H3
InChIKeyCYAOTCMSJJZPQD-UHFFFAOYSA-N
XLogP5.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine 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

N-benzyl-3-[4-(4-chlorophenyl)-1,3-dihydroisochromen-4-yl]propan-1-amine
CID 19028834
N-benzyl-3-[7-chloro-4-(4-chlorophenyl)-1,3-dihydroisochromen-4-yl]propan-1-amine;hydrochloride
CID 19028937
4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine
CID 19028738
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine
CID 107845610
N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69241095
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride
CID 139786189
N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
methyl 4-[(3-methylphenyl)methylamino]butanoate
CID 60694757
1-(4-fluorophenyl)-4-[3-[4-(4-fluorophenyl)-1,3-dihydroisochromen-4-yl]propyl]piperazine;dihydrochloride
CID 19028870
N'-hydroxy-4-[(3-methylphenyl)methylamino]butanimidamide
CID 77030080

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine (CID 19028807) is N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine is Cc1cccc(CNCCCC2(c3ccccc3)COCc3ccccc32)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine?
The InChIKey is CYAOTCMSJJZPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-21-9-7-10-22(17-21)18-27-16-8-15-26(24-12-3-2-4-13-24)20-28-19-23-11-5-6-14-25(23)26/h2-7,9-14,17,27H,8,15-16,18-20H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine?
N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine has a molecular weight of 371.52 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine is sourced from PubChem (CID 19028807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).