2-[ethyl(methyl)amino]-1-phenylpropan-1-ol

C12H19NO — CID 10734

IUPAC2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
SMILESCCN(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11/h5-10,12,14H,4H2,1-3H3
InChIKeyIRVLBORJKFZWMI-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.06
Rot. Bonds4

About 2-[ethyl(methyl)amino]-1-phenylpropan-1-ol

2-[ethyl(methyl)amino]-1-phenylpropan-1-ol (PubChem CID 10734) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
PubChem CID10734
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
SMILESCCN(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11/h5-10,12,14H,4H2,1-3H3
InChIKeyIRVLBORJKFZWMI-UHFFFAOYSA-N
XLogP2.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one
CID 85280198
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(1R,2S)-2-[[(2R)-2-amino-3-methylbutyl]-methylamino]-1-phenylpropan-1-ol
CID 86342127
(1R,2S)-2-[2,2-dimethoxyethyl(methyl)amino]-1-phenylpropan-1-ol
CID 102421960
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 54856739
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 54856639
2-[2-hydroxyethyl(methyl)amino]-1,2-diphenylethanol
CID 14391199
2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide
CID 26416444

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[ethyl(methyl)amino]-1-phenylpropan-1-ol (CID 10734) is 2-[ethyl(methyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[ethyl(methyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[ethyl(methyl)amino]-1-phenylpropan-1-ol is CCN(C)C(C)C(O)c1ccccc1.
What is the InChIKey of 2-[ethyl(methyl)amino]-1-phenylpropan-1-ol?
The InChIKey is IRVLBORJKFZWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11/h5-10,12,14H,4H2,1-3H3.
What are the key properties of 2-[ethyl(methyl)amino]-1-phenylpropan-1-ol?
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 10734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).