2-(methylamino)-2-phenylbutan-1-ol

C11H17NO — CID 10726043

IUPAC2-(methylamino)-2-phenylbutan-1-ol
SMILESCCC(CO)(NC)c1ccccc1
InChIInChI=1S/C11H17NO/c1-3-11(9-13,12-2)10-7-5-4-6-8-10/h4-8,12-13H,3,9H2,1-2H3
InChIKeyHRQGMPWJXQSTEH-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.50
Rot. Bonds4

About 2-(methylamino)-2-phenylbutan-1-ol

2-(methylamino)-2-phenylbutan-1-ol (PubChem CID 10726043) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(methylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-2-phenylbutan-1-ol
PubChem CID10726043
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(methylamino)-2-phenylbutan-1-ol
SMILESCCC(CO)(NC)c1ccccc1
InChIInChI=1S/C11H17NO/c1-3-11(9-13,12-2)10-7-5-4-6-8-10/h4-8,12-13H,3,9H2,1-2H3
InChIKeyHRQGMPWJXQSTEH-UHFFFAOYSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
Mk-1496
CID 67313626
(2RS)-2-(Dimethylamino)-2-phenylbutanol
CID 3016037
2-(tert-Butylamino)-1-phenylethanol
CID 533905
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
2-Amino-2-phenylethanol
CID 92466
2-(Benzylamino)propan-1-ol
CID 138873
(R)-2-(benzylamino)butan-1-ol
CID 927306
(R)-beta-aminophenethyl alcohol
CID 2724025
(2R)-3-phenyl-2-(tetradecylamino)propan-1-ol;hydrochloride
CID 49797463
N-methyl-1,2-diphenylethanolamine
CID 99708
1-(Methylamino)-3-phenylpropan-2-ol
CID 3047196

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-phenylbutan-1-ol?
The IUPAC name of 2-(methylamino)-2-phenylbutan-1-ol (CID 10726043) is 2-(methylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(methylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 2-(methylamino)-2-phenylbutan-1-ol is CCC(CO)(NC)c1ccccc1.
What is the InChIKey of 2-(methylamino)-2-phenylbutan-1-ol?
The InChIKey is HRQGMPWJXQSTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-11(9-13,12-2)10-7-5-4-6-8-10/h4-8,12-13H,3,9H2,1-2H3.
What are the key properties of 2-(methylamino)-2-phenylbutan-1-ol?
2-(methylamino)-2-phenylbutan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 10726043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).