N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline

C14H19F3N2 — CID 167459576

IUPACN-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline
SMILESNCC1CCC(Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)11-3-7-13(8-4-11)19-12-5-1-10(9-18)2-6-12/h3-4,7-8,10,12,19H,1-2,5-6,9,18H2
InChIKeyYQVRJDQRHXOLKU-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.63
Rot. Bonds3

About N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline

N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline (PubChem CID 167459576) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline
PubChem CID167459576
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline
SMILESNCC1CCC(Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)11-3-7-13(8-4-11)19-12-5-1-10(9-18)2-6-12/h3-4,7-8,10,12,19H,1-2,5-6,9,18H2
InChIKeyYQVRJDQRHXOLKU-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine
CID 7148700
N-[4-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43192848
N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 29279291
N-cyclopropyl-3,5-bis(trifluoromethyl)aniline
CID 86655697
1-[4-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116592401
N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline
CID 103438948
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 55209715
[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
CID 142934403
N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455763
2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol
CID 175501471
4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695034
4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455741

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline (CID 167459576) is N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline is NCC1CCC(Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline?
The InChIKey is YQVRJDQRHXOLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)11-3-7-13(8-4-11)19-12-5-1-10(9-18)2-6-12/h3-4,7-8,10,12,19H,1-2,5-6,9,18H2.
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline?
N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline has a molecular weight of 272.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 167459576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).