2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol

C17H27NO2 — CID 116695464

IUPAC2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol
SMILESCC1CCCCC1OCCC(N)(CO)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-14-7-5-6-10-16(14)20-12-11-17(18,13-19)15-8-3-2-4-9-15/h2-4,8-9,14,16,19H,5-7,10-13,18H2,1H3
InChIKeySTFFVXRHWHRHBA-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.82
Rot. Bonds6

About 2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol

2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol (PubChem CID 116695464) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol
PubChem CID116695464
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol
SMILESCC1CCCCC1OCCC(N)(CO)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-14-7-5-6-10-16(14)20-12-11-17(18,13-19)15-8-3-2-4-9-15/h2-4,8-9,14,16,19H,5-7,10-13,18H2,1H3
InChIKeySTFFVXRHWHRHBA-UHFFFAOYSA-N
XLogP2.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol
CID 116695410
2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol
CID 116695061
2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol
CID 116695460
3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol
CID 116693317
2-amino-2-phenylpentan-1-ol
CID 61056433
2-[2-(2-methylcyclohexyl)oxyethyl]aniline
CID 62497263
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
2-amino-2-methyl-3-(2-methylcyclohexyl)oxypropan-1-ol
CID 64804233
ethane;3-(2-methylcyclopentyl)oxypropylbenzene
CID 145106111
2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol (CID 116695464) is 2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol is CC1CCCCC1OCCC(N)(CO)c1ccccc1.
What is the InChIKey of 2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol?
The InChIKey is STFFVXRHWHRHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-7-5-6-10-16(14)20-12-11-17(18,13-19)15-8-3-2-4-9-15/h2-4,8-9,14,16,19H,5-7,10-13,18H2,1H3.
What are the key properties of 2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol?
2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol is sourced from PubChem (CID 116695464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).