3,5-dichloro-N-propan-2-ylaniline

C9H11Cl2N — CID 2758170

IUPAC3,5-dichloro-N-propan-2-ylaniline
SMILESCC(C)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H11Cl2N/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6,12H,1-2H3
InChIKeyLUPDEXKZPAZZDA-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.81
Rot. Bonds2

About 3,5-dichloro-N-propan-2-ylaniline

3,5-dichloro-N-propan-2-ylaniline (PubChem CID 2758170) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 3,5-dichloro-N-propan-2-ylaniline.

Molecular Properties

Compound Name3,5-dichloro-N-propan-2-ylaniline
PubChem CID2758170
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name3,5-dichloro-N-propan-2-ylaniline
SMILESCC(C)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H11Cl2N/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6,12H,1-2H3
InChIKeyLUPDEXKZPAZZDA-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-dichloro-N-propan-2-ylaniline 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

2-(3,5-dichloroanilino)propanamide
CID 43085996
2,4,6-trichloro-N-propan-2-ylaniline
CID 28992463
4-chloro-N-propan-2-ylaniline;hydrochloride
CID 18349750
methyl (2S)-2-(3,5-dichloroanilino)propanoate
CID 26599088
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43081131
3,5-dichloro-N-[(1S)-1-pyridin-4-ylethyl]aniline
CID 40545562
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
3,5-dichloro-N-nonan-2-ylaniline
CID 55199203
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline
CID 63422945
3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43101504

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-propan-2-ylaniline?
The IUPAC name of 3,5-dichloro-N-propan-2-ylaniline (CID 2758170) is 3,5-dichloro-N-propan-2-ylaniline.
What is the SMILES notation for 3,5-dichloro-N-propan-2-ylaniline?
The canonical SMILES for 3,5-dichloro-N-propan-2-ylaniline is CC(C)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-propan-2-ylaniline?
The InChIKey is LUPDEXKZPAZZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6,12H,1-2H3.
What are the key properties of 3,5-dichloro-N-propan-2-ylaniline?
3,5-dichloro-N-propan-2-ylaniline has a molecular weight of 204.10 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-propan-2-ylaniline is sourced from PubChem (CID 2758170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).