(Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine

C17H19N3 — CID 168965427

IUPAC(Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=C(\N)c1cc(-c2ccccc2)ccc1CN
InChIInChI=1S/C17H19N3/c1-20-10-9-17(19)16-11-14(7-8-15(16)12-18)13-5-3-2-4-6-13/h2-11H,12,18-19H2,1H3/b17-9-,20-10+
InChIKeyKDPNWNOKORKBNX-WKJDFIPYSA-N
MW265.36 g/mol
LogP2.81
Rot. Bonds4

About (Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine

(Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine (PubChem CID 168965427) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is (Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine
PubChem CID168965427
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name(Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=C(\N)c1cc(-c2ccccc2)ccc1CN
InChIInChI=1S/C17H19N3/c1-20-10-9-17(19)16-11-14(7-8-15(16)12-18)13-5-3-2-4-6-13/h2-11H,12,18-19H2,1H3/b17-9-,20-10+
InChIKeyKDPNWNOKORKBNX-WKJDFIPYSA-N
XLogP2.81
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-(4-fluorophenyl)aniline
CID 168965197
2-[2-(aminomethyl)-5-phenylphenyl]acetic acid
CID 67211965
5-(1-amino-3-methyliminoprop-1-enyl)-3-(4-fluorophenyl)-1H-pyridazin-6-one
CID 174087859
ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine
CID 145000931
(1R,5S)-3-(2-ethyl-5-phenylphenyl)bicyclo[3.2.1]octane-2,4-dione
CID 91265950
(E)-5-(4-phenylphenyl)hex-4-en-1-amine
CID 95462396
(2Z,4Z)-1-(4-phenylphenyl)hexa-2,4-dien-2-amine
CID 145299472
2-ethyl-4-phenylbenzaldehyde
CID 87968483
2-(2-methyl-5-phenylphenyl)ethanamine
CID 115027519
5-phenyl-2-propylaniline
CID 165495824
1-ethyl-2,4-diphenylbenzene
CID 59359551
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine (CID 168965427) is (Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine is C/N=C/C=C(\N)c1cc(-c2ccccc2)ccc1CN.
What is the InChIKey of (Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine?
The InChIKey is KDPNWNOKORKBNX-WKJDFIPYSA-N. The full InChI is InChI=1S/C17H19N3/c1-20-10-9-17(19)16-11-14(7-8-15(16)12-18)13-5-3-2-4-6-13/h2-11H,12,18-19H2,1H3/b17-9-,20-10+.
What are the key properties of (Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine?
(Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 265.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-(aminomethyl)-5-phenylphenyl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 168965427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).