3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol

C18H29NO — CID 107185349

IUPAC3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)C2CCCCC2(C)C)cc1
InChIInChI=1S/C18H29NO/c1-13-7-9-14(10-8-13)15(12-19)17(20)16-6-4-5-11-18(16,2)3/h7-10,15-17,20H,4-6,11-12,19H2,1-3H3
InChIKeyHECQMMZXFNCAJG-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.61
Rot. Bonds4

About 3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol

3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 107185349) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol
PubChem CID107185349
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)C2CCCCC2(C)C)cc1
InChIInChI=1S/C18H29NO/c1-13-7-9-14(10-8-13)15(12-19)17(20)16-6-4-5-11-18(16,2)3/h7-10,15-17,20H,4-6,11-12,19H2,1-3H3
InChIKeyHECQMMZXFNCAJG-UHFFFAOYSA-N
XLogP3.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,2-dimethylcyclopentyl)-2-(4-ethoxyphenyl)propan-1-ol
CID 107185333
3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol
CID 107185223
3-amino-1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylpropan-1-ol
CID 107185410
3-amino-1-(2,2-dimethylcyclopentyl)-2-pyridin-2-ylpropan-1-ol
CID 107185407
1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
CID 65187887
(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107193010
(2,2-dimethylcyclohexyl)-naphthalen-2-ylmethanol
CID 107192209
1-amino-2-(4-methylphenyl)pentan-3-ol
CID 65187998
[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol
CID 65187944
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol (CID 107185349) is 3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CN)C(O)C2CCCCC2(C)C)cc1.
What is the InChIKey of 3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is HECQMMZXFNCAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-7-9-14(10-8-13)15(12-19)17(20)16-6-4-5-11-18(16,2)3/h7-10,15-17,20H,4-6,11-12,19H2,1-3H3.
What are the key properties of 3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol?
3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-dimethylcyclohexyl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 107185349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).