N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine

C22H22ClNO2 — CID 4724115

IUPACN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cccc(OCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H22ClNO2/c1-25-21-11-7-17(8-12-21)14-24-15-19-3-2-4-22(13-19)26-16-18-5-9-20(23)10-6-18/h2-13,24H,14-16H2,1H3
InChIKeyRFTPJSWUJAKYNF-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.22
Rot. Bonds8

About N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 4724115) has the molecular formula C22H22ClNO2 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID4724115
Molecular FormulaC22H22ClNO2
Molecular Weight367.88 g/mol
Exact Mass367.13
IUPAC NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cccc(OCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H22ClNO2/c1-25-21-11-7-17(8-12-21)14-24-15-19-3-2-4-22(13-19)26-16-18-5-9-20(23)10-6-18/h2-13,24H,14-16H2,1H3
InChIKeyRFTPJSWUJAKYNF-UHFFFAOYSA-N
XLogP5.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine (CID 4724115) is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCc2cccc(OCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is RFTPJSWUJAKYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2/c1-25-21-11-7-17(8-12-21)14-24-15-19-3-2-4-22(13-19)26-16-18-5-9-20(23)10-6-18/h2-13,24H,14-16H2,1H3.
What are the key properties of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine?
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 367.88 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 4724115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).