[1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol

C15H21F2NO — CID 79137858

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol
SMILESCC1CCC(CN)(C(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C15H21F2NO/c1-10-5-7-15(9-18,8-6-10)14(19)13-11(16)3-2-4-12(13)17/h2-4,10,14,19H,5-9,18H2,1H3
InChIKeyMBYQTGTZVVUVOD-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.15
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol

[1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol (PubChem CID 79137858) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol
PubChem CID79137858
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol
SMILESCC1CCC(CN)(C(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C15H21F2NO/c1-10-5-7-15(9-18,8-6-10)14(19)13-11(16)3-2-4-12(13)17/h2-4,10,14,19H,5-9,18H2,1H3
InChIKeyMBYQTGTZVVUVOD-UHFFFAOYSA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
CID 79138973
[1-(aminomethyl)-4-methylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
CID 79138719
[1-(aminomethyl)-3-ethylcyclopentyl]-(2-chloro-6-fluorophenyl)methanol
CID 79135009
[1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanol
CID 79135081
[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol
CID 79136010
[1-(aminomethyl)-4-methylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138876
[1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol
CID 79134631
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol
CID 79126348
[1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol
CID 79137897
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
CID 79134806
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol
CID 79137949
1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65116017

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol (CID 79137858) is [1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol is CC1CCC(CN)(C(O)c2c(F)cccc2F)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol?
The InChIKey is MBYQTGTZVVUVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10-5-7-15(9-18,8-6-10)14(19)13-11(16)3-2-4-12(13)17/h2-4,10,14,19H,5-9,18H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol?
[1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol has a molecular weight of 269.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(2,6-difluorophenyl)methanol is sourced from PubChem (CID 79137858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).