1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine

C15H16ClNO — CID 54911854

IUPAC1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C15H16ClNO/c1-17-10-11-3-5-12(6-4-11)14-9-13(16)7-8-15(14)18-2/h3-9,17H,10H2,1-2H3
InChIKeyJCRNGAQDRPLVSC-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.73
Rot. Bonds4

About 1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine

1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine (PubChem CID 54911854) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine
PubChem CID54911854
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C15H16ClNO/c1-17-10-11-3-5-12(6-4-11)14-9-13(16)7-8-15(14)18-2/h3-9,17H,10H2,1-2H3
InChIKeyJCRNGAQDRPLVSC-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54910277
4-(5-chloro-2-methoxyphenyl)-N-methylaniline
CID 116962443
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
CID 11424756
1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481251
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678
4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride
CID 177414477
1-[3-[(2,5-dichlorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 65318650
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine
CID 61033468
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine (CID 54911854) is 1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine is CNCc1ccc(-c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine?
The InChIKey is JCRNGAQDRPLVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-17-10-11-3-5-12(6-4-11)14-9-13(16)7-8-15(14)18-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine?
1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 54911854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).