4-chloro-N-[(3-methoxyphenyl)methyl]aniline

C14H14ClNO — CID 4681221

IUPAC4-chloro-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H14ClNO/c1-17-14-4-2-3-11(9-14)10-16-13-7-5-12(15)6-8-13/h2-9,16H,10H2,1H3
InChIKeyPOSDLWQKTYXSCE-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.96
Rot. Bonds4

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

4-chloro-N-[(3-methoxyphenyl)methyl]aniline (PubChem CID 4681221) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-N-[(3-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(3-methoxyphenyl)methyl]aniline
PubChem CID4681221
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name4-chloro-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H14ClNO/c1-17-14-4-2-3-11(9-14)10-16-13-7-5-12(15)6-8-13/h2-9,16H,10H2,1H3
InChIKeyPOSDLWQKTYXSCE-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline
CID 43747201
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 28623734
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 23795626
N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
CID 81144109
2,4,5-trichloro-N-[(3-methoxyphenyl)methyl]aniline
CID 29266547
4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline
CID 156894830
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride
CID 174664684
3-chloro-N-[(3-methoxyphenyl)methyl]-4-propoxyaniline
CID 60935346
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(3-methoxyphenyl)methyl]aniline (CID 4681221) is 4-chloro-N-[(3-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(3-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(3-methoxyphenyl)methyl]aniline is COc1cccc(CNc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[(3-methoxyphenyl)methyl]aniline?
The InChIKey is POSDLWQKTYXSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-17-14-4-2-3-11(9-14)10-16-13-7-5-12(15)6-8-13/h2-9,16H,10H2,1H3.
What are the key properties of 4-chloro-N-[(3-methoxyphenyl)methyl]aniline?
4-chloro-N-[(3-methoxyphenyl)methyl]aniline has a molecular weight of 247.73 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 4681221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).