N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine

C16H22F3N — CID 81033561

IUPACN-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-11(2)20-10-13-6-4-8-15(13)12-5-3-7-14(9-12)16(17,18)19/h3,5,7,9,11,13,15,20H,4,6,8,10H2,1-2H3
InChIKeyDFBQJSNKAPGTBB-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.59
Rot. Bonds4

About N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine

N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 81033561) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine
PubChem CID81033561
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-11(2)20-10-13-6-4-8-15(13)12-5-3-7-14(9-12)16(17,18)19/h3,5,7,9,11,13,15,20H,4,6,8,10H2,1-2H3
InChIKeyDFBQJSNKAPGTBB-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
CID 81027466
N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine
CID 102756432
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
CID 116507110
N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024326
N-[(2-pyridin-3-ylcyclohexyl)methyl]propan-2-amine
CID 81027798
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
1-chloro-2-[3-(trifluoromethyl)phenyl]cycloheptane
CID 63510947
2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 62763612
N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
CID 81034048
N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034661
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034049
N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513041

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine (CID 81033561) is N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine is CC(C)NCC1CCCC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is DFBQJSNKAPGTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-11(2)20-10-13-6-4-8-15(13)12-5-3-7-14(9-12)16(17,18)19/h3,5,7,9,11,13,15,20H,4,6,8,10H2,1-2H3.
What are the key properties of N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine?
N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 285.35 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 81033561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).