1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol

C17H27NO2 — CID 75515421

IUPAC1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol
SMILESCc1cccc(C(O)CNC(C)CC2CCOCC2)c1
InChIInChI=1S/C17H27NO2/c1-13-4-3-5-16(10-13)17(19)12-18-14(2)11-15-6-8-20-9-7-15/h3-5,10,14-15,17-19H,6-9,11-12H2,1-2H3
InChIKeyRNOUXGPFYUBUCH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.82
Rot. Bonds6

About 1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol

1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol (PubChem CID 75515421) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol
PubChem CID75515421
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol
SMILESCc1cccc(C(O)CNC(C)CC2CCOCC2)c1
InChIInChI=1S/C17H27NO2/c1-13-4-3-5-16(10-13)17(19)12-18-14(2)11-15-6-8-20-9-7-15/h3-5,10,14-15,17-19H,6-9,11-12H2,1-2H3
InChIKeyRNOUXGPFYUBUCH-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 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-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
CID 115894712
1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115527745
4-[3-bromo-2-(3-methylphenyl)propyl]oxane
CID 79423563
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine
CID 62383877
N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine
CID 79422692
2-[1-(furan-2-yl)ethylamino]-1-(3-methylphenyl)ethanol
CID 84595635
(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol
CID 54165466
(1S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-(3-methylphenyl)ethanol
CID 99702923
1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol
CID 165439998
1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol
CID 60969893
2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide
CID 81361124

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol (CID 75515421) is 1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol is Cc1cccc(C(O)CNC(C)CC2CCOCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol?
The InChIKey is RNOUXGPFYUBUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-4-3-5-16(10-13)17(19)12-18-14(2)11-15-6-8-20-9-7-15/h3-5,10,14-15,17-19H,6-9,11-12H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol?
1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol 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 1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 75515421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).