1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol

C16H24FNO — CID 112680353

IUPAC1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol
SMILESCCC(O)(c1ccccc1F)C1(CN)CCC(C)C1
InChIInChI=1S/C16H24FNO/c1-3-16(19,13-6-4-5-7-14(13)17)15(11-18)9-8-12(2)10-15/h4-7,12,19H,3,8-11,18H2,1-2H3
InChIKeyXCPDTBKYLGEIIB-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.19
Rot. Bonds4

About 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol

1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol (PubChem CID 112680353) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol
PubChem CID112680353
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol
SMILESCCC(O)(c1ccccc1F)C1(CN)CCC(C)C1
InChIInChI=1S/C16H24FNO/c1-3-16(19,13-6-4-5-7-14(13)17)15(11-18)9-8-12(2)10-15/h4-7,12,19H,3,8-11,18H2,1-2H3
InChIKeyXCPDTBKYLGEIIB-UHFFFAOYSA-N
XLogP3.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol
CID 112680362
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-methylphenyl)ethanol
CID 79127710
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2-methylphenyl)ethanol
CID 79128362
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol
CID 79135925
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-thiophen-2-ylethanol
CID 79135673
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2,4-dichloro-5-fluorophenyl)ethanol
CID 79125689
1-[1-(2-fluorophenyl)-1-hydroxypropyl]cycloheptane-1-carbonitrile
CID 115997291
1-cyclopropyl-1-(2-fluorophenyl)propan-1-ol
CID 64918927
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(3,4-dimethylphenyl)ethanol
CID 79134930
2-[1-(aminomethyl)-4-methylcyclohexyl]butan-2-ol
CID 79126658
2-[1-(aminomethyl)-3-methylcyclopentyl]-3-methylbutan-2-ol
CID 79127868
[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
CID 79138973

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol (CID 112680353) is 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol is CCC(O)(c1ccccc1F)C1(CN)CCC(C)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol?
The InChIKey is XCPDTBKYLGEIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-16(19,13-6-4-5-7-14(13)17)15(11-18)9-8-12(2)10-15/h4-7,12,19H,3,8-11,18H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol?
1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclopentyl]-1-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 112680353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).