(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine

C17H24F3N — CID 105188014

IUPAC(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCCc1cccc(C(N)C2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C17H24F3N/c1-2-4-12-5-3-6-14(11-12)16(21)13-7-9-15(10-8-13)17(18,19)20/h3,5-6,11,13,15-16H,2,4,7-10,21H2,1H3
InChIKeyRGRCYCGBHSHGSK-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.01
Rot. Bonds4

About (3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine

(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105188014) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is (3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105188014
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCCc1cccc(C(N)C2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C17H24F3N/c1-2-4-12-5-3-6-14(11-12)16(21)13-7-9-15(10-8-13)17(18,19)20/h3,5-6,11,13,15-16H,2,4,7-10,21H2,1H3
InChIKeyRGRCYCGBHSHGSK-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105187981
(4-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105144448
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646
(S)-cyclopropyl-(3-ethylphenyl)methanamine
CID 131196510
2-cycloheptyl-1-(3-propylphenyl)ethanamine
CID 105050523
(2,2-dimethylcyclohexyl)-(3-propylphenyl)methanamine
CID 107191314
(R)-cyclopropyl-[3-(methoxymethyl)phenyl]methanamine
CID 129411474
(4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65423947
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
CID 116544545
[cyclopentyl-(3-propylphenyl)methyl]hydrazine
CID 105204459
2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine
CID 116545069
1-(3-propylphenyl)ethanamine
CID 116543909

Frequently Asked Questions

What is the IUPAC name of (3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105188014) is (3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine is CCCc1cccc(C(N)C2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of (3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is RGRCYCGBHSHGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-2-4-12-5-3-6-14(11-12)16(21)13-7-9-15(10-8-13)17(18,19)20/h3,5-6,11,13,15-16H,2,4,7-10,21H2,1H3.
What are the key properties of (3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 299.38 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105188014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).