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

C21H20ClNO — CID 17156872

IUPACN-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
SMILESClc1cc(CNCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C21H20ClNO/c22-20-13-19(15-23-14-17-7-3-1-4-8-17)11-12-21(20)24-16-18-9-5-2-6-10-18/h1-13,23H,14-16H2
InChIKeyXLTTTZKFQPSVCD-UHFFFAOYSA-N
MW337.85 g/mol
LogP5.21
Rot. Bonds7

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

N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 17156872) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID17156872
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC NameN-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
SMILESClc1cc(CNCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C21H20ClNO/c22-20-13-19(15-23-14-17-7-3-1-4-8-17)11-12-21(20)24-16-18-9-5-2-6-10-18/h1-13,23H,14-16H2
InChIKeyXLTTTZKFQPSVCD-UHFFFAOYSA-N
XLogP5.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine (CID 17156872) is N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine is Clc1cc(CNCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is XLTTTZKFQPSVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO/c22-20-13-19(15-23-14-17-7-3-1-4-8-17)11-12-21(20)24-16-18-9-5-2-6-10-18/h1-13,23H,14-16H2.
What are the key properties of N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine?
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 337.85 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 17156872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).