(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol

C16H25NO — CID 107862211

IUPAC(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol
SMILESCC1(C)CCCCC1N[C@H](CO)c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2)11-7-6-10-15(16)17-14(12-18)13-8-4-3-5-9-13/h3-5,8-9,14-15,17-18H,6-7,10-12H2,1-2H3/t14-,15?/m1/s1
InChIKeyDNSOPXACIRSUBU-GICMACPYSA-N
MW247.38 g/mol
LogP3.28
Rot. Bonds4

About (2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol

(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol (PubChem CID 107862211) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol
PubChem CID107862211
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol
SMILESCC1(C)CCCCC1N[C@H](CO)c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2)11-7-6-10-15(16)17-14(12-18)13-8-4-3-5-9-13/h3-5,8-9,14-15,17-18H,6-7,10-12H2,1-2H3/t14-,15?/m1/s1
InChIKeyDNSOPXACIRSUBU-GICMACPYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol
CID 114235448
2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
CID 79860147
2-[(4,4-dimethylthian-3-yl)amino]-2-phenylethanol
CID 79947872
3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 79878175
2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
CID 79828950
2-[(2,2-dimethylcyclohexyl)amino]propane-1,3-diol
CID 79836294
4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol
CID 79855934
2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol
CID 82797031
(2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
CID 103921397
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
CID 64863865
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
CID 63183129

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol (CID 107862211) is (2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol is CC1(C)CCCCC1N[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol?
The InChIKey is DNSOPXACIRSUBU-GICMACPYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2)11-7-6-10-15(16)17-14(12-18)13-8-4-3-5-9-13/h3-5,8-9,14-15,17-18H,6-7,10-12H2,1-2H3/t14-,15?/m1/s1.
What are the key properties of (2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol?
(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol has a molecular weight of 247.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol is sourced from PubChem (CID 107862211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).