N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine

C16H22F3N — CID 116539278

IUPACN-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
SMILESCCNC1CCC(C)(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H22F3N/c1-3-20-14-7-8-15(2,11-14)10-12-5-4-6-13(9-12)16(17,18)19/h4-6,9,14,20H,3,7-8,10-11H2,1-2H3
InChIKeyHESKPQSFKFMMQS-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.42
Rot. Bonds4

About N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine

N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine (PubChem CID 116539278) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
PubChem CID116539278
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
SMILESCCNC1CCC(C)(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H22F3N/c1-3-20-14-7-8-15(2,11-14)10-12-5-4-6-13(9-12)16(17,18)19/h4-6,9,14,20H,3,7-8,10-11H2,1-2H3
InChIKeyHESKPQSFKFMMQS-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723191
1-cyclopropyl-3-(ethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 142115840
3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154101
3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine
CID 106273067
N-[[2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-yl]methyl]ethanamine
CID 114534318
2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086
[3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 65407301
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65149544
2,2-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 79834786
N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120719963
3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 106874015

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine (CID 116539278) is N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine is CCNC1CCC(C)(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine?
The InChIKey is HESKPQSFKFMMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-3-20-14-7-8-15(2,11-14)10-12-5-4-6-13(9-12)16(17,18)19/h4-6,9,14,20H,3,7-8,10-11H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine?
N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 116539278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).