(E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine

C21H20ClN — CID 12912972

IUPAC(E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine
SMILESCN(C/C=C/c1ccccc1)Cc1ccc(Cl)c2ccccc12
InChIInChI=1S/C21H20ClN/c1-23(15-7-10-17-8-3-2-4-9-17)16-18-13-14-21(22)20-12-6-5-11-19(18)20/h2-14H,15-16H2,1H3/b10-7+
InChIKeyFEENMQRDLITMQV-JXMROGBWSA-N
MW321.85 g/mol
LogP5.64
Rot. Bonds5

About (E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine

(E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine (PubChem CID 12912972) has the molecular formula C21H20ClN and a molecular weight of 321.85 g/mol. Its IUPAC name is (E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine
PubChem CID12912972
Molecular FormulaC21H20ClN
Molecular Weight321.85 g/mol
Exact Mass321.13
IUPAC Name(E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine
SMILESCN(C/C=C/c1ccccc1)Cc1ccc(Cl)c2ccccc12
InChIInChI=1S/C21H20ClN/c1-23(15-7-10-17-8-3-2-4-9-17)16-18-13-14-21(22)20-12-6-5-11-19(18)20/h2-14H,15-16H2,1H3/b10-7+
InChIKeyFEENMQRDLITMQV-JXMROGBWSA-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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine (CID 12912972) is (E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine is CN(C/C=C/c1ccccc1)Cc1ccc(Cl)c2ccccc12.
What is the InChIKey of (E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is FEENMQRDLITMQV-JXMROGBWSA-N. The full InChI is InChI=1S/C21H20ClN/c1-23(15-7-10-17-8-3-2-4-9-17)16-18-13-14-21(22)20-12-6-5-11-19(18)20/h2-14H,15-16H2,1H3/b10-7+.
What are the key properties of (E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine?
(E)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-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)-N-[(4-chloronaphthalen-1-yl)methyl]-N-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 12912972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).