2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline

C14H14ClNO2 — CID 139794718

IUPAC2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(Nc2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C14H14ClNO2/c1-17-11-5-3-10(4-6-11)16-14-8-7-12(18-2)9-13(14)15/h3-9,16H,1-2H3
InChIKeyUTQUNLDOTHJJQP-UHFFFAOYSA-N
MW263.72 g/mol
LogP4.10
Rot. Bonds4

About 2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline

2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline (PubChem CID 139794718) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
PubChem CID139794718
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(Nc2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C14H14ClNO2/c1-17-11-5-3-10(4-6-11)16-14-8-7-12(18-2)9-13(14)15/h3-9,16H,1-2H3
InChIKeyUTQUNLDOTHJJQP-UHFFFAOYSA-N
XLogP4.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-chloro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 115124931
(2-chloro-4-methoxyphenyl)hydrazine;hydrochloride
CID 132585199
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
CID 102749971
2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline
CID 130877520
3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile
CID 55194800
5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
CID 82480714
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline?
The IUPAC name of 2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline (CID 139794718) is 2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for 2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline?
The canonical SMILES for 2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline is COc1ccc(Nc2ccc(OC)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline?
The InChIKey is UTQUNLDOTHJJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-17-11-5-3-10(4-6-11)16-14-8-7-12(18-2)9-13(14)15/h3-9,16H,1-2H3.
What are the key properties of 2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline?
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline has a molecular weight of 263.72 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 139794718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).