N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine

C16H22F3N — CID 65412962

IUPACN-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(C(F)(F)F)c1)C1CCC(C)C1
InChIInChI=1S/C16H22F3N/c1-3-20-15(13-8-7-11(2)9-13)12-5-4-6-14(10-12)16(17,18)19/h4-6,10-11,13,15,20H,3,7-9H2,1-2H3
InChIKeyDKCWSWKDAKWMQB-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.79
Rot. Bonds4

About N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine

N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 65412962) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID65412962
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(C(F)(F)F)c1)C1CCC(C)C1
InChIInChI=1S/C16H22F3N/c1-3-20-15(13-8-7-11(2)9-13)12-5-4-6-14(10-12)16(17,18)19/h4-6,10-11,13,15,20H,3,7-9H2,1-2H3
InChIKeyDKCWSWKDAKWMQB-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115850632
N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
CID 116544556
N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415595
N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65332476
N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65414596
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067
[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544173
N-[6-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850627
N-[(3-methylcyclopentyl)-quinolin-7-ylmethyl]ethanamine
CID 81231066
N-[(3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64730507
N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 65423582

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 65412962) is N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1cccc(C(F)(F)F)c1)C1CCC(C)C1.
What is the InChIKey of N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is DKCWSWKDAKWMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-3-20-15(13-8-7-11(2)9-13)12-5-4-6-14(10-12)16(17,18)19/h4-6,10-11,13,15,20H,3,7-9H2,1-2H3.
What are the key properties of N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 285.35 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 65412962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).