N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine

C20H18ClNO — CID 54038698

IUPACN-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine
SMILESClc1cc(CNCc2ccccc2)ccc1Oc1ccccc1
InChIInChI=1S/C20H18ClNO/c21-19-13-17(15-22-14-16-7-3-1-4-8-16)11-12-20(19)23-18-9-5-2-6-10-18/h1-13,22H,14-15H2
InChIKeyLKUGXNXDNKJXJQ-UHFFFAOYSA-N
MW323.82 g/mol
LogP5.42
Rot. Bonds6

About N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine

N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 54038698) has the molecular formula C20H18ClNO and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID54038698
Molecular FormulaC20H18ClNO
Molecular Weight323.82 g/mol
Exact Mass323.11
IUPAC NameN-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine
SMILESClc1cc(CNCc2ccccc2)ccc1Oc1ccccc1
InChIInChI=1S/C20H18ClNO/c21-19-13-17(15-22-14-16-7-3-1-4-8-16)11-12-20(19)23-18-9-5-2-6-10-18/h1-13,22H,14-15H2
InChIKeyLKUGXNXDNKJXJQ-UHFFFAOYSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.82
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 57119398
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643
N-[[3-chloro-4-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 81151266
N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine
CID 81151403
N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
CID 81154570
1-(3-chloro-4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 17157336
N-[[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 81145340
N-[(3-chloro-4-methoxyphenyl)methyl]-2-phenoxyethanamine
CID 65021766
N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 81155490
N-[(3-chloro-4-methoxyphenyl)methyl]-3-phenoxypropan-1-amine
CID 65021861
N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283286

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine (CID 54038698) is N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine is Clc1cc(CNCc2ccccc2)ccc1Oc1ccccc1.
What is the InChIKey of N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is LKUGXNXDNKJXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO/c21-19-13-17(15-22-14-16-7-3-1-4-8-16)11-12-20(19)23-18-9-5-2-6-10-18/h1-13,22H,14-15H2.
What are the key properties of N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine?
N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 323.82 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 54038698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).