1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol

C17H27NO2 — CID 60633001

IUPAC1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(OCC(O)CNCc2ccccc2)CC1
InChIInChI=1S/C17H27NO2/c1-14-7-9-17(10-8-14)20-13-16(19)12-18-11-15-5-3-2-4-6-15/h2-6,14,16-19H,7-13H2,1H3
InChIKeyIQKJBRQZEQWCEK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.73
Rot. Bonds7

About 1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol

1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol (PubChem CID 60633001) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
PubChem CID60633001
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(OCC(O)CNCc2ccccc2)CC1
InChIInChI=1S/C17H27NO2/c1-14-7-9-17(10-8-14)20-13-16(19)12-18-11-15-5-3-2-4-6-15/h2-6,14,16-19H,7-13H2,1H3
InChIKeyIQKJBRQZEQWCEK-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729329
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62332086
1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60899171
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
CID 114331934
(2S)-1-(benzylamino)-3-(2-ethoxyphenoxy)propan-2-ol
CID 39424747
1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964882
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
CID 104591392

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol (CID 60633001) is 1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol is CC1CCC(OCC(O)CNCc2ccccc2)CC1.
What is the InChIKey of 1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is IQKJBRQZEQWCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-7-9-17(10-8-14)20-13-16(19)12-18-11-15-5-3-2-4-6-15/h2-6,14,16-19H,7-13H2,1H3.
What are the key properties of 1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60633001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).