(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine

C17H18ClN — CID 20838904

IUPAC(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCN(C)C/C=C(/c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-12H,13H2,1-2H3/b17-12-
InChIKeyXDXDUKLLNMOSNS-ATVHPVEESA-N
MW271.79 g/mol
LogP4.33
Rot. Bonds4

About (Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine

(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine (PubChem CID 20838904) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
PubChem CID20838904
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCN(C)C/C=C(/c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-12H,13H2,1-2H3/b17-12-
InChIKeyXDXDUKLLNMOSNS-ATVHPVEESA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine (CID 20838904) is (Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine is CN(C)C/C=C(/c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The InChIKey is XDXDUKLLNMOSNS-ATVHPVEESA-N. The full InChI is InChI=1S/C17H18ClN/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-12H,13H2,1-2H3/b17-12-.
What are the key properties of (Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine?
(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine has a molecular weight of 271.79 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 20838904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).