2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline

C16H27ClN2 — CID 114860263

IUPAC2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(Cl)cc1CC(N)CC
InChIInChI=1S/C16H27ClN2/c1-4-9-19(10-5-2)16-8-7-14(17)11-13(16)12-15(18)6-3/h7-8,11,15H,4-6,9-10,12,18H2,1-3H3
InChIKeyMMRXETMCLNUQBT-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.25
Rot. Bonds8

About 2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline

2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline (PubChem CID 114860263) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline
PubChem CID114860263
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(Cl)cc1CC(N)CC
InChIInChI=1S/C16H27ClN2/c1-4-9-19(10-5-2)16-8-7-14(17)11-13(16)12-15(18)6-3/h7-8,11,15H,4-6,9-10,12,18H2,1-3H3
InChIKeyMMRXETMCLNUQBT-UHFFFAOYSA-N
XLogP4.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline
CID 114861221
2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline
CID 114860632
2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 114861073
2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
CID 114861459
2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 114861846
2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline
CID 114860559
4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
CID 114847374
N'-[4-chloro-2-(chloromethyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 114846580
N'-[2-(bromomethyl)-4-chlorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 107082448
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 54929442
4-chloro-N-ethyl-2-(methylaminomethyl)-N-propylaniline
CID 114847967

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline?
The IUPAC name of 2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline (CID 114860263) is 2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline?
The canonical SMILES for 2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline is CCCN(CCC)c1ccc(Cl)cc1CC(N)CC.
What is the InChIKey of 2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline?
The InChIKey is MMRXETMCLNUQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-4-9-19(10-5-2)16-8-7-14(17)11-13(16)12-15(18)6-3/h7-8,11,15H,4-6,9-10,12,18H2,1-3H3.
What are the key properties of 2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline?
2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline has a molecular weight of 282.86 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline is sourced from PubChem (CID 114860263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).