N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine

C16H18ClNO2 — CID 65022037

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C16H18ClNO2/c1-19-14-5-3-4-12(8-14)10-18-11-13-6-7-16(20-2)15(17)9-13/h3-9,18H,10-11H2,1-2H3
InChIKeyLSSNIEPTQSNXNQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.65
Rot. Bonds6

About N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine

N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine (PubChem CID 65022037) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
PubChem CID65022037
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C16H18ClNO2/c1-19-14-5-3-4-12(8-14)10-18-11-13-6-7-16(20-2)15(17)9-13/h3-9,18H,10-11H2,1-2H3
InChIKeyLSSNIEPTQSNXNQ-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 65022380
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
CID 65022398
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354628
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
[(3-chloro-4-methoxyphenyl)methylamino]methanethiol
CID 115227883
N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 60663542
N-[(3-chloro-4-methoxyphenyl)methyl]-2-phenoxyethanamine
CID 65021766
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
N-[(3-chloro-4-methoxyphenyl)methyl]-3-phenoxypropan-1-amine
CID 65021861
[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 111466497
1-(3-chloro-4-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 65021941

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine (CID 65022037) is N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine is COc1cccc(CNCc2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine?
The InChIKey is LSSNIEPTQSNXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-19-14-5-3-4-12(8-14)10-18-11-13-6-7-16(20-2)15(17)9-13/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine?
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine has a molecular weight of 291.78 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 65022037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).