4-chloro-3-methoxy-N-(1-phenylethyl)aniline

C15H16ClNO — CID 107266476

IUPAC4-chloro-3-methoxy-N-(1-phenylethyl)aniline
SMILESCOc1cc(NC(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H16ClNO/c1-11(12-6-4-3-5-7-12)17-13-8-9-14(16)15(10-13)18-2/h3-11,17H,1-2H3
InChIKeyVNMHOHGRJSTZAQ-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.52
Rot. Bonds4

About 4-chloro-3-methoxy-N-(1-phenylethyl)aniline

4-chloro-3-methoxy-N-(1-phenylethyl)aniline (PubChem CID 107266476) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(1-phenylethyl)aniline
PubChem CID107266476
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name4-chloro-3-methoxy-N-(1-phenylethyl)aniline
SMILESCOc1cc(NC(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H16ClNO/c1-11(12-6-4-3-5-7-12)17-13-8-9-14(16)15(10-13)18-2/h3-11,17H,1-2H3
InChIKeyVNMHOHGRJSTZAQ-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-4-chloro-3-methoxyaniline
CID 107621052
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline
CID 107621050
4-chloro-3-methoxy-N-[1-(3-nitrophenyl)ethyl]aniline
CID 107270493
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
CID 107620944
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline
CID 107270569
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
3-chloro-4-methoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758115
3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
CID 43079492
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-(1-phenylethyl)aniline?
The IUPAC name of 4-chloro-3-methoxy-N-(1-phenylethyl)aniline (CID 107266476) is 4-chloro-3-methoxy-N-(1-phenylethyl)aniline.
What is the SMILES notation for 4-chloro-3-methoxy-N-(1-phenylethyl)aniline?
The canonical SMILES for 4-chloro-3-methoxy-N-(1-phenylethyl)aniline is COc1cc(NC(C)c2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-(1-phenylethyl)aniline?
The InChIKey is VNMHOHGRJSTZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11(12-6-4-3-5-7-12)17-13-8-9-14(16)15(10-13)18-2/h3-11,17H,1-2H3.
What are the key properties of 4-chloro-3-methoxy-N-(1-phenylethyl)aniline?
4-chloro-3-methoxy-N-(1-phenylethyl)aniline has a molecular weight of 261.75 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-(1-phenylethyl)aniline is sourced from PubChem (CID 107266476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).