4-(5-chloro-2-methoxyphenyl)-N-methylaniline

C14H14ClNO — CID 116962443

IUPAC4-(5-chloro-2-methoxyphenyl)-N-methylaniline
SMILESCNc1ccc(-c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C14H14ClNO/c1-16-12-6-3-10(4-7-12)13-9-11(15)5-8-14(13)17-2/h3-9,16H,1-2H3
InChIKeyXQSJYEQWRWAIQG-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.06
Rot. Bonds3

About 4-(5-chloro-2-methoxyphenyl)-N-methylaniline

4-(5-chloro-2-methoxyphenyl)-N-methylaniline (PubChem CID 116962443) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-methylaniline
PubChem CID116962443
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-methylaniline
SMILESCNc1ccc(-c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C14H14ClNO/c1-16-12-6-3-10(4-7-12)13-9-11(15)5-8-14(13)17-2/h3-9,16H,1-2H3
InChIKeyXQSJYEQWRWAIQG-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911854
N-[3-(4-chlorophenyl)-4-methoxyphenyl]acetamide
CID 10636150
4-(5-chloro-2-methoxyphenyl)benzenesulfonyl fluoride
CID 177414477
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678
4-(4-methoxy-2,5-dimethylphenyl)-N-methylaniline
CID 116962460
4-(4-chlorophenyl)-N-methylaniline;hydrochloride
CID 137319755
4-(5-chloro-2-methoxyphenyl)phthalic acid
CID 21072423
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
CID 116879411

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-methylaniline?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-methylaniline (CID 116962443) is 4-(5-chloro-2-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-methylaniline is CNc1ccc(-c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-methylaniline?
The InChIKey is XQSJYEQWRWAIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-16-12-6-3-10(4-7-12)13-9-11(15)5-8-14(13)17-2/h3-9,16H,1-2H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-methylaniline?
4-(5-chloro-2-methoxyphenyl)-N-methylaniline has a molecular weight of 247.72 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 116962443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).