2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline

C14H20ClF3N2 — CID 114861846

IUPAC2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
SMILESCCC(N)Cc1cc(Cl)ccc1N(C)CCC(F)(F)F
InChIInChI=1S/C14H20ClF3N2/c1-3-12(19)9-10-8-11(15)4-5-13(10)20(2)7-6-14(16,17)18/h4-5,8,12H,3,6-7,9,19H2,1-2H3
InChIKeyJDKRRWNBVTWDTO-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.01
Rot. Bonds6

About 2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline

2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline (PubChem CID 114861846) has the molecular formula C14H20ClF3N2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
PubChem CID114861846
Molecular FormulaC14H20ClF3N2
Molecular Weight308.78 g/mol
Exact Mass308.13
IUPAC Name2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
SMILESCCC(N)Cc1cc(Cl)ccc1N(C)CCC(F)(F)F
InChIInChI=1S/C14H20ClF3N2/c1-3-12(19)9-10-8-11(15)4-5-13(10)20(2)7-6-14(16,17)18/h4-5,8,12H,3,6-7,9,19H2,1-2H3
InChIKeyJDKRRWNBVTWDTO-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline
CID 114860263
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-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 114861047
2-(2-aminobutyl)-4-chloro-N-ethyl-N-(2-ethylbutyl)aniline
CID 114861221
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 114860842
2-(2-aminobutyl)-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861239
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 114861092
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861923
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 114851978
1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 54929442
N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63795925

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline?
The IUPAC name of 2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline (CID 114861846) is 2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline.
What is the SMILES notation for 2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline?
The canonical SMILES for 2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline is CCC(N)Cc1cc(Cl)ccc1N(C)CCC(F)(F)F.
What is the InChIKey of 2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline?
The InChIKey is JDKRRWNBVTWDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF3N2/c1-3-12(19)9-10-8-11(15)4-5-13(10)20(2)7-6-14(16,17)18/h4-5,8,12H,3,6-7,9,19H2,1-2H3.
What are the key properties of 2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline?
2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline has a molecular weight of 308.78 g/mol, XLogP of 4.01, 6 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-methyl-N-(3,3,3-trifluoropropyl)aniline is sourced from PubChem (CID 114861846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).