[1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine

C14H19F2NO — CID 79679892

IUPAC[1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine
SMILESCC1CCCC1(CN)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO/c1-10-3-2-8-14(10,9-17)11-4-6-12(7-5-11)18-13(15)16/h4-7,10,13H,2-3,8-9,17H2,1H3
InChIKeyPKRAMKWPOVTFDY-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.30
Rot. Bonds4

About [1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine

[1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine (PubChem CID 79679892) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is [1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine
PubChem CID79679892
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name[1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine
SMILESCC1CCCC1(CN)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO/c1-10-3-2-8-14(10,9-17)11-4-6-12(7-5-11)18-13(15)16/h4-7,10,13H,2-3,8-9,17H2,1H3
InChIKeyPKRAMKWPOVTFDY-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine
CID 28937862
[1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol
CID 79135427
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene
CID 70489618
[(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate
CID 102001590
3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine
CID 65014563
3-[4-(difluoromethoxy)phenyl]oxan-3-amine
CID 154814534
[2-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 103440957
2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 16790891
(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]butan-2-amine
CID 97058295
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylcyclobutane-1-carboxamide
CID 115447918

Frequently Asked Questions

What is the IUPAC name of [1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine?
The IUPAC name of [1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine (CID 79679892) is [1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine?
The canonical SMILES for [1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine is CC1CCCC1(CN)c1ccc(OC(F)F)cc1.
What is the InChIKey of [1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine?
The InChIKey is PKRAMKWPOVTFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10-3-2-8-14(10,9-17)11-4-6-12(7-5-11)18-13(15)16/h4-7,10,13H,2-3,8-9,17H2,1H3.
What are the key properties of [1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine?
[1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine has a molecular weight of 255.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine is sourced from PubChem (CID 79679892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).