4-chloro-N-propan-2-ylaniline;hydrochloride

C9H13Cl2N — CID 18349750

IUPAC4-chloro-N-propan-2-ylaniline;hydrochloride
SMILESCC(C)Nc1ccc(Cl)cc1.Cl
InChIInChI=1S/C9H12ClN.ClH/c1-7(2)11-9-5-3-8(10)4-6-9;/h3-7,11H,1-2H3;1H
InChIKeyFMFBRFMCEFZIJG-UHFFFAOYSA-N
MW206.12 g/mol
LogP3.58
Rot. Bonds2

About 4-chloro-N-propan-2-ylaniline;hydrochloride

4-chloro-N-propan-2-ylaniline;hydrochloride (PubChem CID 18349750) has the molecular formula C9H13Cl2N and a molecular weight of 206.12 g/mol. Its IUPAC name is 4-chloro-N-propan-2-ylaniline;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-propan-2-ylaniline;hydrochloride
PubChem CID18349750
Molecular FormulaC9H13Cl2N
Molecular Weight206.12 g/mol
Exact Mass205.04
IUPAC Name4-chloro-N-propan-2-ylaniline;hydrochloride
SMILESCC(C)Nc1ccc(Cl)cc1.Cl
InChIInChI=1S/C9H12ClN.ClH/c1-7(2)11-9-5-3-8(10)4-6-9;/h3-7,11H,1-2H3;1H
InChIKeyFMFBRFMCEFZIJG-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-N-propan-2-ylaniline;hydrochloride 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

4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
4-chloro-N-(1,1-difluoropropan-2-yl)aniline
CID 102867820
(2S)-2-(4-chloroanilino)propan-1-ol
CID 66929513
2-(4-chloroanilino)propanenitrile
CID 60987659
2-N-(4-chlorophenyl)propane-1,2-diamine
CID 55267436
3,5-dichloro-N-propan-2-ylaniline
CID 2758170
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline
CID 174838160
2-(4-chloroanilino)-2-(4-propan-2-ylphenyl)acetonitrile
CID 60987657
2-(4-chloroanilino)propanamide
CID 43085931
(2R)-2-(4-chloroanilino)propanoate
CID 7152546

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propan-2-ylaniline;hydrochloride?
The IUPAC name of 4-chloro-N-propan-2-ylaniline;hydrochloride (CID 18349750) is 4-chloro-N-propan-2-ylaniline;hydrochloride.
What is the SMILES notation for 4-chloro-N-propan-2-ylaniline;hydrochloride?
The canonical SMILES for 4-chloro-N-propan-2-ylaniline;hydrochloride is CC(C)Nc1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-chloro-N-propan-2-ylaniline;hydrochloride?
The InChIKey is FMFBRFMCEFZIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN.ClH/c1-7(2)11-9-5-3-8(10)4-6-9;/h3-7,11H,1-2H3;1H.
What are the key properties of 4-chloro-N-propan-2-ylaniline;hydrochloride?
4-chloro-N-propan-2-ylaniline;hydrochloride has a molecular weight of 206.12 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propan-2-ylaniline;hydrochloride is sourced from PubChem (CID 18349750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).