2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline

C16H25ClN2 — CID 114860559

IUPAC2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline
SMILESCCCN(c1cc(Cl)ccc1CC(N)CC)C1CC1
InChIInChI=1S/C16H25ClN2/c1-3-9-19(15-7-8-15)16-11-13(17)6-5-12(16)10-14(18)4-2/h5-6,11,14-15H,3-4,7-10,18H2,1-2H3
InChIKeyHBPFJFQUVBHPJU-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.00
Rot. Bonds7

About 2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline

2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline (PubChem CID 114860559) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline
PubChem CID114860559
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline
SMILESCCCN(c1cc(Cl)ccc1CC(N)CC)C1CC1
InChIInChI=1S/C16H25ClN2/c1-3-9-19(15-7-8-15)16-11-13(17)6-5-12(16)10-14(18)4-2/h5-6,11,14-15H,3-4,7-10,18H2,1-2H3
InChIKeyHBPFJFQUVBHPJU-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline 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-[2-(2-aminobutyl)-5-chlorophenyl]-N-methylcycloheptanamine
CID 114860719
2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline
CID 114860263
2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 114861073
2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline
CID 63784972
2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 114861576
2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
CID 114861459
5-chloro-2-[cyclopropyl(propyl)amino]benzonitrile
CID 62494076
2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861241
2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78951235
4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
CID 78935924
2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline
CID 114860397
5-bromo-2-(chloromethyl)-N-cyclopropyl-N-propylaniline
CID 43270621

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline?
The IUPAC name of 2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline (CID 114860559) is 2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline?
The canonical SMILES for 2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline is CCCN(c1cc(Cl)ccc1CC(N)CC)C1CC1.
What is the InChIKey of 2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline?
The InChIKey is HBPFJFQUVBHPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-9-19(15-7-8-15)16-11-13(17)6-5-12(16)10-14(18)4-2/h5-6,11,14-15H,3-4,7-10,18H2,1-2H3.
What are the key properties of 2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline?
2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline has a molecular weight of 280.84 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline is sourced from PubChem (CID 114860559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).