2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline

C16H27ClN2O2 — CID 114861459

IUPAC2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
SMILESCCC(N)Cc1ccc(Cl)cc1N(CCOC)CCOC
InChIInChI=1S/C16H27ClN2O2/c1-4-15(18)11-13-5-6-14(17)12-16(13)19(7-9-20-2)8-10-21-3/h5-6,12,15H,4,7-11,18H2,1-3H3
InChIKeyHZCLBNGGTSXUHN-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.72
Rot. Bonds10

About 2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline

2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline (PubChem CID 114861459) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
PubChem CID114861459
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
SMILESCCC(N)Cc1ccc(Cl)cc1N(CCOC)CCOC
InChIInChI=1S/C16H27ClN2O2/c1-4-15(18)11-13-5-6-14(17)12-16(13)19(7-9-20-2)8-10-21-3/h5-6,12,15H,4,7-11,18H2,1-3H3
InChIKeyHZCLBNGGTSXUHN-UHFFFAOYSA-N
XLogP2.72
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)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)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 63817422
5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
CID 114846465
2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline
CID 114860263
2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63815111
2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 114861073
2-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236804
2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline
CID 62493985
2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline
CID 114860559
2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline
CID 114860397
1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 54929442
N-[2-(2-aminobutyl)-5-chlorophenyl]-N-methylcycloheptanamine
CID 114860719
1-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103411518

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline (CID 114861459) is 2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline is CCC(N)Cc1ccc(Cl)cc1N(CCOC)CCOC.
What is the InChIKey of 2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is HZCLBNGGTSXUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O2/c1-4-15(18)11-13-5-6-14(17)12-16(13)19(7-9-20-2)8-10-21-3/h5-6,12,15H,4,7-11,18H2,1-3H3.
What are the key properties of 2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline?
2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline has a molecular weight of 314.86 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 114861459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).