2-(3-methylbutan-2-ylamino)-1-phenylethanol

C13H21NO — CID 12904820

IUPAC2-(3-methylbutan-2-ylamino)-1-phenylethanol
SMILESCC(C)C(C)NCC(O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-10(2)11(3)14-9-13(15)12-7-5-4-6-8-12/h4-8,10-11,13-15H,9H2,1-3H3
InChIKeyZMRVHDCQFWCMGB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.35
Rot. Bonds5

About 2-(3-methylbutan-2-ylamino)-1-phenylethanol

2-(3-methylbutan-2-ylamino)-1-phenylethanol (PubChem CID 12904820) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)-1-phenylethanol
PubChem CID12904820
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(3-methylbutan-2-ylamino)-1-phenylethanol
SMILESCC(C)C(C)NCC(O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-10(2)11(3)14-9-13(15)12-7-5-4-6-8-12/h4-8,10-11,13-15H,9H2,1-3H3
InChIKeyZMRVHDCQFWCMGB-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473
2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442
2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60885846
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 54089481
2-[bis(trimethylsilyl)methylamino]-1-phenylethanol
CID 15425393
2-(3-methylbutan-2-ylamino)-1-(4-nitrophenyl)ethanol
CID 81344643
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)-1-phenylethanol?
The IUPAC name of 2-(3-methylbutan-2-ylamino)-1-phenylethanol (CID 12904820) is 2-(3-methylbutan-2-ylamino)-1-phenylethanol.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)-1-phenylethanol?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)-1-phenylethanol is CC(C)C(C)NCC(O)c1ccccc1.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)-1-phenylethanol?
The InChIKey is ZMRVHDCQFWCMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)11(3)14-9-13(15)12-7-5-4-6-8-12/h4-8,10-11,13-15H,9H2,1-3H3.
What are the key properties of 2-(3-methylbutan-2-ylamino)-1-phenylethanol?
2-(3-methylbutan-2-ylamino)-1-phenylethanol has a molecular weight of 207.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylamino)-1-phenylethanol is sourced from PubChem (CID 12904820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).