2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline

C15H22ClF3N2 — CID 114861073

IUPAC2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1cc(Cl)ccc1CC(N)CC
InChIInChI=1S/C15H22ClF3N2/c1-3-7-21(10-15(17,18)19)14-9-12(16)6-5-11(14)8-13(20)4-2/h5-6,9,13H,3-4,7-8,10,20H2,1-2H3
InChIKeyNLEXANCQSYYPET-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.40
Rot. Bonds7

About 2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline

2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 114861073) has the molecular formula C15H22ClF3N2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID114861073
Molecular FormulaC15H22ClF3N2
Molecular Weight322.80 g/mol
Exact Mass322.14
IUPAC Name2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCCN(CC(F)(F)F)c1cc(Cl)ccc1CC(N)CC
InChIInChI=1S/C15H22ClF3N2/c1-3-7-21(10-15(17,18)19)14-9-12(16)6-5-11(14)8-13(20)4-2/h5-6,9,13H,3-4,7-8,10,20H2,1-2H3
InChIKeyNLEXANCQSYYPET-UHFFFAOYSA-N
XLogP4.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 114861047
2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline
CID 114860263
2-(2-aminobutyl)-5-chloro-N,N-bis(2-methoxyethyl)aniline
CID 114861459
2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline
CID 114860559
4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzaldehyde
CID 114844194
2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 114861846
2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478489
5-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 62492569
4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 114088984
4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline
CID 63786915
5-bromo-2-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63566929
2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline
CID 114860397

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline (CID 114861073) is 2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline is CCCN(CC(F)(F)F)c1cc(Cl)ccc1CC(N)CC.
What is the InChIKey of 2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is NLEXANCQSYYPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF3N2/c1-3-7-21(10-15(17,18)19)14-9-12(16)6-5-11(14)8-13(20)4-2/h5-6,9,13H,3-4,7-8,10,20H2,1-2H3.
What are the key properties of 2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline?
2-(2-aminobutyl)-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 322.80 g/mol, XLogP of 4.40, 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-propyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 114861073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).