(Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine

C33H51N — CID 141216590

IUPAC(Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNC(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C33H51N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-34-33(32-22-19-18-20-23-32)29-31-26-24-30(2)25-27-31/h10-11,18-20,22-27,33-34H,3-9,12-17,21,28-29H2,1-2H3/b11-10-
InChIKeyRARMJGQDMWYIIY-KHPPLWFESA-N
MW461.78 g/mol
LogP9.91
Rot. Bonds20

About (Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine

(Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine (PubChem CID 141216590) has the molecular formula C33H51N and a molecular weight of 461.78 g/mol. Its IUPAC name is (Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine
PubChem CID141216590
Molecular FormulaC33H51N
Molecular Weight461.78 g/mol
Exact Mass461.40
IUPAC Name(Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNC(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C33H51N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-34-33(32-22-19-18-20-23-32)29-31-26-24-30(2)25-27-31/h10-11,18-20,22-27,33-34H,3-9,12-17,21,28-29H2,1-2H3/b11-10-
InChIKeyRARMJGQDMWYIIY-KHPPLWFESA-N
XLogP9.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.78
LogP ≤ 59.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-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-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
(9Z,12Z)-N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]octadeca-9,12-dienamide
CID 6436044
N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-2-ynamide
CID 54531392
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N-[(4-methylphenyl)-phenylmethyl]octan-1-amine
CID 3847928
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine?
The IUPAC name of (Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine (CID 141216590) is (Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine.
What is the SMILES notation for (Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine?
The canonical SMILES for (Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine is CCCCCCCC/C=C\CCCCCCCCNC(Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine?
The InChIKey is RARMJGQDMWYIIY-KHPPLWFESA-N. The full InChI is InChI=1S/C33H51N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-34-33(32-22-19-18-20-23-32)29-31-26-24-30(2)25-27-31/h10-11,18-20,22-27,33-34H,3-9,12-17,21,28-29H2,1-2H3/b11-10-.
What are the key properties of (Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine?
(Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine has a molecular weight of 461.78 g/mol, XLogP of 9.91, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-1-amine is sourced from PubChem (CID 141216590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).