(1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol

C15H23NO — CID 71090567

IUPAC(1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol
SMILESC[C@@H]1[C@H](CCc2ccccc2)CC(N)C[C@@H]1O
InChIInChI=1S/C15H23NO/c1-11-13(9-14(16)10-15(11)17)8-7-12-5-3-2-4-6-12/h2-6,11,13-15,17H,7-10,16H2,1H3/t11-,13-,14?,15+/m1/s1
InChIKeyFTVBHPDYBPQVST-IBEYCOPNSA-N
MW233.36 g/mol
LogP2.35
Rot. Bonds3

About (1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol

(1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol (PubChem CID 71090567) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol
PubChem CID71090567
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol
SMILESC[C@@H]1[C@H](CCc2ccccc2)CC(N)C[C@@H]1O
InChIInChI=1S/C15H23NO/c1-11-13(9-14(16)10-15(11)17)8-7-12-5-3-2-4-6-12/h2-6,11,13-15,17H,7-10,16H2,1H3/t11-,13-,14?,15+/m1/s1
InChIKeyFTVBHPDYBPQVST-IBEYCOPNSA-N
XLogP2.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol with MolForge

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Related Compounds

2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol
CID 166640244
(1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol
CID 89301410
(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
4-(2-phenylethyl)thiolan-3-amine
CID 75355570
4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine
CID 81013816
2-[(1S,2R)-2-(iodomethyl)cyclopropyl]ethylbenzene
CID 102318249
1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine
CID 80561805
2-(2-phenylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylic acid
CID 53426464
(5R)-3-methoxy-4-methyl-4-nitro-5-(2-phenylethyl)cyclohexan-1-amine
CID 59879437

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol?
The IUPAC name of (1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol (CID 71090567) is (1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol.
What is the SMILES notation for (1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol?
The canonical SMILES for (1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol is C[C@@H]1[C@H](CCc2ccccc2)CC(N)C[C@@H]1O.
What is the InChIKey of (1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol?
The InChIKey is FTVBHPDYBPQVST-IBEYCOPNSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-13(9-14(16)10-15(11)17)8-7-12-5-3-2-4-6-12/h2-6,11,13-15,17H,7-10,16H2,1H3/t11-,13-,14?,15+/m1/s1.
What are the key properties of (1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol?
(1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol is sourced from PubChem (CID 71090567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).