3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol

C17H26ClNO — CID 107185223

IUPAC3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol
SMILESCC1(C)CCCCC1C(O)C(CN)c1ccccc1Cl
InChIInChI=1S/C17H26ClNO/c1-17(2)10-6-5-8-14(17)16(20)13(11-19)12-7-3-4-9-15(12)18/h3-4,7,9,13-14,16,20H,5-6,8,10-11,19H2,1-2H3
InChIKeyBGNHMNHFGFLFBD-UHFFFAOYSA-N
MW295.85 g/mol
LogP3.96
Rot. Bonds4

About 3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol

3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol (PubChem CID 107185223) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol
PubChem CID107185223
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol
SMILESCC1(C)CCCCC1C(O)C(CN)c1ccccc1Cl
InChIInChI=1S/C17H26ClNO/c1-17(2)10-6-5-8-14(17)16(20)13(11-19)12-7-3-4-9-15(12)18/h3-4,7,9,13-14,16,20H,5-6,8,10-11,19H2,1-2H3
InChIKeyBGNHMNHFGFLFBD-UHFFFAOYSA-N
XLogP3.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol
CID 107185410
3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol
CID 107185349
3-amino-1-(2,2-dimethylcyclopentyl)-2-pyridin-2-ylpropan-1-ol
CID 107185407
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192076
(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol
CID 107191971
(2,2-dimethylcyclohexyl)-(2-ethoxyphenyl)methanol
CID 107192228
3-amino-1-(2,2-dimethylcyclopentyl)-2-(4-ethoxyphenyl)propan-1-ol
CID 107185333
3-amino-2-(2-chlorophenyl)-1-phenylpropan-1-ol
CID 65184557
(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107181647
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene
CID 107182469
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol
CID 107192265
3-amino-2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-ol
CID 65184960

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol (CID 107185223) is 3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol is CC1(C)CCCCC1C(O)C(CN)c1ccccc1Cl.
What is the InChIKey of 3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol?
The InChIKey is BGNHMNHFGFLFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-17(2)10-6-5-8-14(17)16(20)13(11-19)12-7-3-4-9-15(12)18/h3-4,7,9,13-14,16,20H,5-6,8,10-11,19H2,1-2H3.
What are the key properties of 3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol?
3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol has a molecular weight of 295.85 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol is sourced from PubChem (CID 107185223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).