N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine

C18H27F2N — CID 105408541

IUPACN-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cc(F)cc(F)c1)C1CCCC1
InChIInChI=1S/C18H27F2N/c1-13(2)11-21-12-16(15-5-3-4-6-15)7-14-8-17(19)10-18(20)9-14/h8-10,13,15-16,21H,3-7,11-12H2,1-2H3
InChIKeyGIIRITXUPHPHAX-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.56
Rot. Bonds7

About N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine

N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine (PubChem CID 105408541) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine
PubChem CID105408541
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cc(F)cc(F)c1)C1CCCC1
InChIInChI=1S/C18H27F2N/c1-13(2)11-21-12-16(15-5-3-4-6-15)7-14-8-17(19)10-18(20)9-14/h8-10,13,15-16,21H,3-7,11-12H2,1-2H3
InChIKeyGIIRITXUPHPHAX-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 113456650
N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 115926878
N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 82932989
N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine
CID 104819290
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 106869656
2-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 82932645
4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017251
1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene
CID 112570523
2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 82934194
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256
N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine
CID 115926877

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine (CID 105408541) is N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine is CC(C)CNCC(Cc1cc(F)cc(F)c1)C1CCCC1.
What is the InChIKey of N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine?
The InChIKey is GIIRITXUPHPHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-13(2)11-21-12-16(15-5-3-4-6-15)7-14-8-17(19)10-18(20)9-14/h8-10,13,15-16,21H,3-7,11-12H2,1-2H3.
What are the key properties of N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine?
N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105408541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).