[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol

C14H19F2NO — CID 79138973

IUPAC[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
SMILESCC1CCC(CN)(C(O)c2c(F)cccc2F)C1
InChIInChI=1S/C14H19F2NO/c1-9-5-6-14(7-9,8-17)13(18)12-10(15)3-2-4-11(12)16/h2-4,9,13,18H,5-8,17H2,1H3
InChIKeyYZLVEPDUSBVUNM-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.76
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol

[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol (PubChem CID 79138973) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
PubChem CID79138973
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
SMILESCC1CCC(CN)(C(O)c2c(F)cccc2F)C1
InChIInChI=1S/C14H19F2NO/c1-9-5-6-14(7-9,8-17)13(18)12-10(15)3-2-4-11(12)16/h2-4,9,13,18H,5-8,17H2,1H3
InChIKeyYZLVEPDUSBVUNM-UHFFFAOYSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol
CID 79137858
[1-(aminomethyl)-3-ethylcyclopentyl]-(2-chloro-6-fluorophenyl)methanol
CID 79135009
[1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol
CID 79976853
[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
CID 79137757
[1-(aminomethyl)-3-methylcyclopentyl]-[2-(difluoromethoxy)phenyl]methanol
CID 79134784
[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
CID 79138726
[1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol
CID 79124362
[1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol
CID 79135427
[1-(aminomethyl)-3-methylcyclopentyl]-(2,5-dimethylphenyl)methanol
CID 79138249
[1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol
CID 79134631
[1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
CID 79138719
[1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 103277857

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol (CID 79138973) is [1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol is CC1CCC(CN)(C(O)c2c(F)cccc2F)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol?
The InChIKey is YZLVEPDUSBVUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9-5-6-14(7-9,8-17)13(18)12-10(15)3-2-4-11(12)16/h2-4,9,13,18H,5-8,17H2,1H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol?
[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol has a molecular weight of 255.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol is sourced from PubChem (CID 79138973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).