2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C15H21F3N2 — CID 16792257

IUPAC2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)cc1)N1CCCCCC1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)13-7-5-12(6-8-13)14(11-19)20-9-3-1-2-4-10-20/h5-8,14H,1-4,9-11,19H2
InChIKeyOVEUSKGLFQTZBF-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.58
Rot. Bonds3

About 2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 16792257) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID16792257
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)cc1)N1CCCCCC1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)13-7-5-12(6-8-13)14(11-19)20-9-3-1-2-4-10-20/h5-8,14H,1-4,9-11,19H2
InChIKeyOVEUSKGLFQTZBF-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4-thiazepan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 61419550
2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 54775908
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
4-(2-amino-1-piperidin-1-ylethyl)phenol
CID 16796139
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
(2S)-2-piperidin-1-yl-2-pyridin-4-ylethanamine
CID 39254713
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 30049408
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 16790891
2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine
CID 79984707
4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 16642839

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 16792257) is 2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is NCC(c1ccc(C(F)(F)F)cc1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is OVEUSKGLFQTZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c16-15(17,18)13-7-5-12(6-8-13)14(11-19)20-9-3-1-2-4-10-20/h5-8,14H,1-4,9-11,19H2.
What are the key properties of 2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 286.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 16792257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).