3-chloro-N-(1-cyclopropylethyl)-2-methylaniline

C12H16ClN — CID 43192017

IUPAC3-chloro-N-(1-cyclopropylethyl)-2-methylaniline
SMILESCc1c(Cl)cccc1NC(C)C1CC1
InChIInChI=1S/C12H16ClN/c1-8-11(13)4-3-5-12(8)14-9(2)10-6-7-10/h3-5,9-10,14H,6-7H2,1-2H3
InChIKeyBWKDIGNWDCGESH-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.86
Rot. Bonds3

About 3-chloro-N-(1-cyclopropylethyl)-2-methylaniline

3-chloro-N-(1-cyclopropylethyl)-2-methylaniline (PubChem CID 43192017) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclopropylethyl)-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-(1-cyclopropylethyl)-2-methylaniline
PubChem CID43192017
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name3-chloro-N-(1-cyclopropylethyl)-2-methylaniline
SMILESCc1c(Cl)cccc1NC(C)C1CC1
InChIInChI=1S/C12H16ClN/c1-8-11(13)4-3-5-12(8)14-9(2)10-6-7-10/h3-5,9-10,14H,6-7H2,1-2H3
InChIKeyBWKDIGNWDCGESH-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-N-(1-cyclopropylethyl)-2-methylaniline 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

N-(1-cyclopropylethyl)-2,3-dimethylaniline
CID 43196438
2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline
CID 103477842
2-chloro-6-(1-cyclopropylethylamino)benzenecarbothioamide
CID 62502790
3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine
CID 113458617
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592
2-chloro-N-(1-cyclopentylethyl)-6-methylaniline
CID 66252662
3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide
CID 62631758
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
N-(1-cyclopropylethyl)-2-propan-2-ylaniline
CID 43192462
3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43096271
3-chloro-N-cyclohexyl-2-methylaniline
CID 29276475
3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline
CID 43758590

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclopropylethyl)-2-methylaniline?
The IUPAC name of 3-chloro-N-(1-cyclopropylethyl)-2-methylaniline (CID 43192017) is 3-chloro-N-(1-cyclopropylethyl)-2-methylaniline.
What is the SMILES notation for 3-chloro-N-(1-cyclopropylethyl)-2-methylaniline?
The canonical SMILES for 3-chloro-N-(1-cyclopropylethyl)-2-methylaniline is Cc1c(Cl)cccc1NC(C)C1CC1.
What is the InChIKey of 3-chloro-N-(1-cyclopropylethyl)-2-methylaniline?
The InChIKey is BWKDIGNWDCGESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-8-11(13)4-3-5-12(8)14-9(2)10-6-7-10/h3-5,9-10,14H,6-7H2,1-2H3.
What are the key properties of 3-chloro-N-(1-cyclopropylethyl)-2-methylaniline?
3-chloro-N-(1-cyclopropylethyl)-2-methylaniline has a molecular weight of 209.72 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclopropylethyl)-2-methylaniline is sourced from PubChem (CID 43192017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).