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

C14H19F3N2 — CID 43138623

IUPAC[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(N2CCCCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2/c15-14(16,17)13-9-12(6-5-11(13)10-18)19-7-3-1-2-4-8-19/h5-6,9H,1-4,7-8,10,18H2
InChIKeyUVXZBKHCLMEBRF-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.54
Rot. Bonds2

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

[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 43138623) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine
PubChem CID43138623
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(N2CCCCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2/c15-14(16,17)13-9-12(6-5-11(13)10-18)19-7-3-1-2-4-8-19/h5-6,9H,1-4,7-8,10,18H2
InChIKeyUVXZBKHCLMEBRF-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
4-[(Azepan-1-yl)methyl]aniline
CID 1084713
1-(3,4-Xylyl)piperazine
CID 2723782
Amiflamine
CID 71221
4-Dimethylaminophenethylamine
CID 151268
N,3,4-trimethylaniline
CID 12377758
3-[(3,4-Dimethylphenyl)amino]propanenitrile
CID 2416540
4-(Dimethylamino)-alpha,2-dimethylphenethylamine
CID 3043606
4-(3-aminopropyl)-N,N-dimethylaniline
CID 15703000
AP-24592
CID 46838908
N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine
CID 18525907
4-(1-azepanylmethyl)-N,N-dimethylaniline
CID 792618

Frequently Asked Questions

What is the IUPAC name of [4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine (CID 43138623) is [4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine is NCc1ccc(N2CCCCCC2)cc1C(F)(F)F.
What is the InChIKey of [4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is UVXZBKHCLMEBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)13-9-12(6-5-11(13)10-18)19-7-3-1-2-4-8-19/h5-6,9H,1-4,7-8,10,18H2.
What are the key properties of [4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 272.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43138623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).