3-chloro-2-methoxy-N-phenylaniline

C13H12ClNO — CID 171920172

IUPAC3-chloro-2-methoxy-N-phenylaniline
SMILESCOc1c(Cl)cccc1Nc1ccccc1
InChIInChI=1S/C13H12ClNO/c1-16-13-11(14)8-5-9-12(13)15-10-6-3-2-4-7-10/h2-9,15H,1H3
InChIKeyHMTCBYUDDWHKRD-UHFFFAOYSA-N
MW233.70 g/mol
LogP4.09
Rot. Bonds3

About 3-chloro-2-methoxy-N-phenylaniline

3-chloro-2-methoxy-N-phenylaniline (PubChem CID 171920172) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-chloro-2-methoxy-N-phenylaniline.

Molecular Properties

Compound Name3-chloro-2-methoxy-N-phenylaniline
PubChem CID171920172
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name3-chloro-2-methoxy-N-phenylaniline
SMILESCOc1c(Cl)cccc1Nc1ccccc1
InChIInChI=1S/C13H12ClNO/c1-16-13-11(14)8-5-9-12(13)15-10-6-3-2-4-7-10/h2-9,15H,1H3
InChIKeyHMTCBYUDDWHKRD-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-methoxyphenyl)hydrazine;hydrochloride
CID 138619398
2-methoxy-N-phenylaniline
CID 10910514
2-(3-chloro-2-methoxyanilino)ethanol
CID 130667587
3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol
CID 57011726
3-chloro-N-cyclopentyl-2-methoxyaniline
CID 115884195
2,3-dichloro-N-(2-methoxyphenyl)aniline
CID 82537063
1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
2-(3-chloro-2-methoxyanilino)-3-propan-2-yloxybenzoic acid
CID 155297697
N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide
CID 110025035
3-(2-chloroanilino)-4-methoxycyclobut-3-ene-1,2-dione
CID 87433156
2,3-dichloro-N-(4-phenylphenyl)aniline
CID 162720595
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-N-phenylaniline?
The IUPAC name of 3-chloro-2-methoxy-N-phenylaniline (CID 171920172) is 3-chloro-2-methoxy-N-phenylaniline.
What is the SMILES notation for 3-chloro-2-methoxy-N-phenylaniline?
The canonical SMILES for 3-chloro-2-methoxy-N-phenylaniline is COc1c(Cl)cccc1Nc1ccccc1.
What is the InChIKey of 3-chloro-2-methoxy-N-phenylaniline?
The InChIKey is HMTCBYUDDWHKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-16-13-11(14)8-5-9-12(13)15-10-6-3-2-4-7-10/h2-9,15H,1H3.
What are the key properties of 3-chloro-2-methoxy-N-phenylaniline?
3-chloro-2-methoxy-N-phenylaniline has a molecular weight of 233.70 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-N-phenylaniline is sourced from PubChem (CID 171920172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).