[1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol

C15H21F2NO2 — CID 79135427

IUPAC[1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol
SMILESCC1CCC(CN)(C(O)c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C15H21F2NO2/c1-10-6-7-15(8-10,9-18)13(19)11-2-4-12(5-3-11)20-14(16)17/h2-5,10,13-14,19H,6-9,18H2,1H3
InChIKeyWSAWSEMNDNUGFZ-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.09
Rot. Bonds5

About [1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol

[1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol (PubChem CID 79135427) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol
PubChem CID79135427
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name[1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol
SMILESCC1CCC(CN)(C(O)c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C15H21F2NO2/c1-10-6-7-15(8-10,9-18)13(19)11-2-4-12(5-3-11)20-14(16)17/h2-5,10,13-14,19H,6-9,18H2,1H3
InChIKeyWSAWSEMNDNUGFZ-UHFFFAOYSA-N
XLogP3.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol
CID 79976853
[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
CID 79137757
[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
CID 79138726
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol
CID 79126348
[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
CID 79138973
[1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol
CID 79123902
[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol
CID 79135593
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
[1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol
CID 79137897
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79138054
[1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine
CID 79679892
2-(aminomethyl)-1-[4-(difluoromethoxy)phenyl]butan-1-ol
CID 79135604

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol (CID 79135427) is [1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol is CC1CCC(CN)(C(O)c2ccc(OC(F)F)cc2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol?
The InChIKey is WSAWSEMNDNUGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-10-6-7-15(8-10,9-18)13(19)11-2-4-12(5-3-11)20-14(16)17/h2-5,10,13-14,19H,6-9,18H2,1H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol?
[1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol has a molecular weight of 285.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol is sourced from PubChem (CID 79135427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).