N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

C17H22F3N — CID 79970039

IUPACN-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCc1cccc(C2CC2)c1
InChIInChI=1S/C17H22F3N/c18-17(19,20)15-6-1-2-7-16(15)21-11-12-4-3-5-14(10-12)13-8-9-13/h3-5,10,13,15-16,21H,1-2,6-9,11H2
InChIKeyWSSWDQKTDWLXQG-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.77
Rot. Bonds4

About N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 79970039) has the molecular formula C17H22F3N and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID79970039
Molecular FormulaC17H22F3N
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCc1cccc(C2CC2)c1
InChIInChI=1S/C17H22F3N/c18-17(19,20)15-6-1-2-7-16(15)21-11-12-4-3-5-14(10-12)13-8-9-13/h3-5,10,13,15-16,21H,1-2,6-9,11H2
InChIKeyWSSWDQKTDWLXQG-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434463
N-[(3-cyclopropylphenyl)methyl]cyclopentanamine
CID 79979605
N-[(3-fluoro-4-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 63646209
2-(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]cyclohexan-1-amine
CID 63052233
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 102909770
3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
CID 43673906
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79983868
2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline
CID 66418811
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
trans-(1S,2S)-1-N,2-N-bis[(3-bromophenyl)methyl]cyclohexane-1,2-diamine
CID 51041024

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 79970039) is N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCCC1NCc1cccc(C2CC2)c1.
What is the InChIKey of N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is WSSWDQKTDWLXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N/c18-17(19,20)15-6-1-2-7-16(15)21-11-12-4-3-5-14(10-12)13-8-9-13/h3-5,10,13,15-16,21H,1-2,6-9,11H2.
What are the key properties of N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 297.36 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 79970039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).