(4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine

C17H24F3N — CID 65423947

IUPAC(4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCCC1CCC(C(N)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H24F3N/c1-2-4-12-7-9-13(10-8-12)16(21)14-5-3-6-15(11-14)17(18,19)20/h3,5-6,11-13,16H,2,4,7-10,21H2,1H3
InChIKeyAJRNGNUUHKOJTM-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.31
Rot. Bonds4

About (4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine

(4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 65423947) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is (4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID65423947
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name(4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCCC1CCC(C(N)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H24F3N/c1-2-4-12-7-9-13(10-8-12)16(21)14-5-3-6-15(11-14)17(18,19)20/h3,5-6,11-13,16H,2,4,7-10,21H2,1H3
InChIKeyAJRNGNUUHKOJTM-UHFFFAOYSA-N
XLogP5.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107188498
(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105188014
[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171922490
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646
(S)-cyclopropyl-(3-ethylphenyl)methanamine
CID 131196510
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
(6-methyl-3-pyridinyl)-(4-propylcyclohexyl)methanamine
CID 65424529
(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
CID 65422984
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067

Frequently Asked Questions

What is the IUPAC name of (4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine (CID 65423947) is (4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine is CCCC1CCC(C(N)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is AJRNGNUUHKOJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-2-4-12-7-9-13(10-8-12)16(21)14-5-3-6-15(11-14)17(18,19)20/h3,5-6,11-13,16H,2,4,7-10,21H2,1H3.
What are the key properties of (4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine?
(4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 299.38 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 65423947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).