N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine

C16H22FN — CID 81032761

IUPACN-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1C1CCCC1CNC1CC1
InChIInChI=1S/C16H22FN/c1-11-9-13(17)5-8-15(11)16-4-2-3-12(16)10-18-14-6-7-14/h5,8-9,12,14,16,18H,2-4,6-7,10H2,1H3
InChIKeyFYOOXWPIJCHBME-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.77
Rot. Bonds4

About N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine

N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 81032761) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID81032761
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC NameN-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine
SMILESCc1cc(F)ccc1C1CCCC1CNC1CC1
InChIInChI=1S/C16H22FN/c1-11-9-13(17)5-8-15(11)16-4-2-3-12(16)10-18-14-6-7-14/h5,8-9,12,14,16,18H,2-4,6-7,10H2,1H3
InChIKeyFYOOXWPIJCHBME-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81026617
N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365930
N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81034688
N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81026613
2-(4-fluoro-2-methylphenyl)cyclopentan-1-ol
CID 62790245
2-(4-fluoro-2-methylphenyl)cyclohexan-1-amine
CID 62801431
N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine
CID 106763835
N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]cyclopropanamine
CID 104739441
1-[2-(2,4-difluorophenyl)cycloheptyl]-N-methylmethanamine
CID 81025058
N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034661
N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025221
N-[[2-(4-fluoro-2-methylphenyl)-4,4-dimethylcyclohexyl]methyl]propan-2-amine
CID 81022840

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine (CID 81032761) is N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine is Cc1cc(F)ccc1C1CCCC1CNC1CC1.
What is the InChIKey of N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is FYOOXWPIJCHBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-11-9-13(17)5-8-15(11)16-4-2-3-12(16)10-18-14-6-7-14/h5,8-9,12,14,16,18H,2-4,6-7,10H2,1H3.
What are the key properties of N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine?
N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 247.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluoro-2-methylphenyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81032761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).