2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline

C16H25ClN2O — CID 114861241

IUPAC2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCC(N)Cc1ccc(Cl)cc1N(C)CC1CCCO1
InChIInChI=1S/C16H25ClN2O/c1-3-14(18)9-12-6-7-13(17)10-16(12)19(2)11-15-5-4-8-20-15/h6-7,10,14-15H,3-5,8-9,11,18H2,1-2H3
InChIKeyLEFLAFNWHBTTKL-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.23
Rot. Bonds6

About 2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline

2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline (PubChem CID 114861241) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
PubChem CID114861241
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCC(N)Cc1ccc(Cl)cc1N(C)CC1CCCO1
InChIInChI=1S/C16H25ClN2O/c1-3-14(18)9-12-6-7-13(17)10-16(12)19(2)11-15-5-4-8-20-15/h6-7,10,14-15H,3-5,8-9,11,18H2,1-2H3
InChIKeyLEFLAFNWHBTTKL-UHFFFAOYSA-N
XLogP3.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline 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-(2-aminobutyl)-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861239
2-(2-aminobutyl)-5-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 114861576
5-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848953
4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817565
N-[2-(2-aminobutyl)-5-chlorophenyl]-N-methylcycloheptanamine
CID 114860719
4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848960
4-chloro-N-methyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114848952
2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817012
1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 62600088
2-(bromomethyl)-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 107081294
4-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)aniline
CID 114848966
5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849013

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline (CID 114861241) is 2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline is CCC(N)Cc1ccc(Cl)cc1N(C)CC1CCCO1.
What is the InChIKey of 2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is LEFLAFNWHBTTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-3-14(18)9-12-6-7-13(17)10-16(12)19(2)11-15-5-4-8-20-15/h6-7,10,14-15H,3-5,8-9,11,18H2,1-2H3.
What are the key properties of 2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline?
2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 296.84 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 114861241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).