(E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine

C21H20ClN — CID 12912969

IUPAC(E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
SMILESCN(C/C=C/c1ccccc1Cl)Cc1cccc2ccccc12
InChIInChI=1S/C21H20ClN/c1-23(15-7-12-18-9-3-5-14-21(18)22)16-19-11-6-10-17-8-2-4-13-20(17)19/h2-14H,15-16H2,1H3/b12-7+
InChIKeyMTUXFPKBLIYNQV-KPKJPENVSA-N
MW321.85 g/mol
LogP5.64
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine

(E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine (PubChem CID 12912969) has the molecular formula C21H20ClN and a molecular weight of 321.85 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
PubChem CID12912969
Molecular FormulaC21H20ClN
Molecular Weight321.85 g/mol
Exact Mass321.13
IUPAC Name(E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
SMILESCN(C/C=C/c1ccccc1Cl)Cc1cccc2ccccc12
InChIInChI=1S/C21H20ClN/c1-23(15-7-12-18-9-3-5-14-21(18)22)16-19-11-6-10-17-8-2-4-13-20(17)19/h2-14H,15-16H2,1H3/b12-7+
InChIKeyMTUXFPKBLIYNQV-KPKJPENVSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.85
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine (CID 12912969) is (E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine is CN(C/C=C/c1ccccc1Cl)Cc1cccc2ccccc12.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
The InChIKey is MTUXFPKBLIYNQV-KPKJPENVSA-N. The full InChI is InChI=1S/C21H20ClN/c1-23(15-7-12-18-9-3-5-14-21(18)22)16-19-11-6-10-17-8-2-4-13-20(17)19/h2-14H,15-16H2,1H3/b12-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
(E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine has a molecular weight of 321.85 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 12912969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).