2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline

C15H22ClF3N2 — CID 114861047

IUPAC2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCC(N)Cc1ccc(Cl)cc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C15H22ClF3N2/c1-4-13(20)7-11-5-6-12(16)8-14(11)21(10(2)3)9-15(17,18)19/h5-6,8,10,13H,4,7,9,20H2,1-3H3
InChIKeyMAWDTYQZNWYWKC-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.40
Rot. Bonds6

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

2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 114861047) has the molecular formula C15H22ClF3N2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID114861047
Molecular FormulaC15H22ClF3N2
Molecular Weight322.80 g/mol
Exact Mass322.14
IUPAC Name2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCC(N)Cc1ccc(Cl)cc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C15H22ClF3N2/c1-4-13(20)7-11-5-6-12(16)8-14(11)21(10(2)3)9-15(17,18)19/h5-6,8,10,13H,4,7,9,20H2,1-3H3
InChIKeyMAWDTYQZNWYWKC-UHFFFAOYSA-N
XLogP4.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 114861073
4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]benzenecarbothioamide
CID 55179837
2-(2-aminobutyl)-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 114861846
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-ethyl-N-phenylaniline
CID 114860397
N-[2-(2-aminobutyl)-5-chlorophenyl]-N-methylcycloheptanamine
CID 114860719
2-(bromomethyl)-5-chloro-N-ethyl-N-propan-2-ylaniline
CID 107079890
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 63795748
2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline
CID 114860559
2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline
CID 114860632
1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine
CID 107762391

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline (CID 114861047) is 2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline is CCC(N)Cc1ccc(Cl)cc1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is MAWDTYQZNWYWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF3N2/c1-4-13(20)7-11-5-6-12(16)8-14(11)21(10(2)3)9-15(17,18)19/h5-6,8,10,13H,4,7,9,20H2,1-3H3.
What are the key properties of 2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline?
2-(2-aminobutyl)-5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 322.80 g/mol, XLogP of 4.40, 6 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-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 114861047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).