4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline

C15H16ClNO — CID 168969368

IUPAC4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(Cl)cc2)c1C
InChIInChI=1S/C15H16ClNO/c1-11-12(4-3-5-15(11)18-2)10-17-14-8-6-13(16)7-9-14/h3-9,17H,10H2,1-2H3
InChIKeyKJGDNXVVIMCIQI-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.27
Rot. Bonds4

About 4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline

4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline (PubChem CID 168969368) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline
PubChem CID168969368
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(Cl)cc2)c1C
InChIInChI=1S/C15H16ClNO/c1-11-12(4-3-5-15(11)18-2)10-17-14-8-6-13(16)7-9-14/h3-9,17H,10H2,1-2H3
InChIKeyKJGDNXVVIMCIQI-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline
CID 54944362
N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
CID 112982382
4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline
CID 104791781
3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982654
3,4-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791484
4-(chloromethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104794881
4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791660
N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
CID 62810743
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate
CID 115461456

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline (CID 168969368) is 4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline is COc1cccc(CNc2ccc(Cl)cc2)c1C.
What is the InChIKey of 4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline?
The InChIKey is KJGDNXVVIMCIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-12(4-3-5-15(11)18-2)10-17-14-8-6-13(16)7-9-14/h3-9,17H,10H2,1-2H3.
What are the key properties of 4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline?
4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline has a molecular weight of 261.75 g/mol, XLogP of 4.27, 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-methoxy-2-methylphenyl)methyl]aniline is sourced from PubChem (CID 168969368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).