4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline

C12H18ClNO2 — CID 107272154

IUPAC4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline
SMILESCOCC(C)CNc1ccc(Cl)c(OC)c1
InChIInChI=1S/C12H18ClNO2/c1-9(8-15-2)7-14-10-4-5-11(13)12(6-10)16-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyZQIYEICFGZKNSM-UHFFFAOYSA-N
MW243.73 g/mol
LogP3.04
Rot. Bonds6

About 4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline

4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline (PubChem CID 107272154) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline
PubChem CID107272154
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline
SMILESCOCC(C)CNc1ccc(Cl)c(OC)c1
InChIInChI=1S/C12H18ClNO2/c1-9(8-15-2)7-14-10-4-5-11(13)12(6-10)16-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyZQIYEICFGZKNSM-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol
CID 107621631
3-chloro-N-(3-methoxy-2-methylpropyl)-4-propan-2-yloxyaniline
CID 116501045
2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol
CID 107678691
3-bromo-4-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116501354
2-chloro-5-[(3-methoxy-2-methylpropyl)amino]benzoic acid
CID 116501087
3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116500691
methyl 3-(4-chloro-3-methoxyanilino)-2-methylpropanoate
CID 107621442
2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116500994
4-chloro-3-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 107621263
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline
CID 107270569

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline?
The IUPAC name of 4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline (CID 107272154) is 4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline.
What is the SMILES notation for 4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline?
The canonical SMILES for 4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline is COCC(C)CNc1ccc(Cl)c(OC)c1.
What is the InChIKey of 4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline?
The InChIKey is ZQIYEICFGZKNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-9(8-15-2)7-14-10-4-5-11(13)12(6-10)16-3/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline?
4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline has a molecular weight of 243.73 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline is sourced from PubChem (CID 107272154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).