2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol

C16H23ClFNO — CID 19862215

IUPAC2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCC(C)(N)C1CCCCC1(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H23ClFNO/c1-15(2,19)14-8-3-4-9-16(14,20)10-11-12(17)6-5-7-13(11)18/h5-7,14,20H,3-4,8-10,19H2,1-2H3
InChIKeySITGDGWDZKFIHQ-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.68
Rot. Bonds3

About 2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol

2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 19862215) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID19862215
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCC(C)(N)C1CCCCC1(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H23ClFNO/c1-15(2,19)14-8-3-4-9-16(14,20)10-11-12(17)6-5-7-13(11)18/h5-7,14,20H,3-4,8-10,19H2,1-2H3
InChIKeySITGDGWDZKFIHQ-UHFFFAOYSA-N
XLogP3.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
1-[(2,6-dichlorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65149113
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406990
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55188464
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090912
1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile
CID 65377639
1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65153745
4-[(2-chloro-6-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 112562293
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 112652934
1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 67421202
4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol (CID 19862215) is 2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol is CC(C)(N)C1CCCCC1(O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is SITGDGWDZKFIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-15(2,19)14-8-3-4-9-16(14,20)10-11-12(17)6-5-7-13(11)18/h5-7,14,20H,3-4,8-10,19H2,1-2H3.
What are the key properties of 2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol?
2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 299.82 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 19862215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).