2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline

C18H29ClN2 — CID 114861531

IUPAC2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline
SMILESCCC1CCC(N(C)c2cc(Cl)ccc2CC(C)N)CC1
InChIInChI=1S/C18H29ClN2/c1-4-14-5-9-17(10-6-14)21(3)18-12-16(19)8-7-15(18)11-13(2)20/h7-8,12-14,17H,4-6,9-11,20H2,1-3H3
InChIKeyMKJKULPECSKMDY-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.63
Rot. Bonds5

About 2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline

2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline (PubChem CID 114861531) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline
PubChem CID114861531
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline
SMILESCCC1CCC(N(C)c2cc(Cl)ccc2CC(C)N)CC1
InChIInChI=1S/C18H29ClN2/c1-4-14-5-9-17(10-6-14)21(3)18-12-16(19)8-7-15(18)11-13(2)20/h7-8,12-14,17H,4-6,9-11,20H2,1-3H3
InChIKeyMKJKULPECSKMDY-UHFFFAOYSA-N
XLogP4.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-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

5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114849309
4-chloro-2-[(4-ethylcyclohexyl)-methylamino]benzenecarbothioamide
CID 63518376
N-[2-(2-aminobutyl)-5-chlorophenyl]-N-methylcycloheptanamine
CID 114860719
4-(2-aminopropyl)-N-(4-ethylcyclohexyl)-N,2-dimethylaniline
CID 63816201
5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 107081552
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114862200
N-[5-chloro-2-(chloromethyl)phenyl]-N-methylcycloheptanamine
CID 114846425
2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 114861214
2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline
CID 114860609
2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641
2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
CID 114861429

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline?
The IUPAC name of 2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline (CID 114861531) is 2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline is CCC1CCC(N(C)c2cc(Cl)ccc2CC(C)N)CC1.
What is the InChIKey of 2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline?
The InChIKey is MKJKULPECSKMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-14-5-9-17(10-6-14)21(3)18-12-16(19)8-7-15(18)11-13(2)20/h7-8,12-14,17H,4-6,9-11,20H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline?
2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline has a molecular weight of 308.90 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline is sourced from PubChem (CID 114861531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).