2-methyl-3-(methylamino)-3-phenylpropan-1-ol

C11H17NO — CID 64813233

IUPAC2-methyl-3-(methylamino)-3-phenylpropan-1-ol
SMILESCNC(c1ccccc1)C(C)CO
InChIInChI=1S/C11H17NO/c1-9(8-13)11(12-2)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3
InChIKeyUGCBBRIMDHYGCN-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.58
Rot. Bonds4

About 2-methyl-3-(methylamino)-3-phenylpropan-1-ol

2-methyl-3-(methylamino)-3-phenylpropan-1-ol (PubChem CID 64813233) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-3-phenylpropan-1-ol
PubChem CID64813233
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methyl-3-(methylamino)-3-phenylpropan-1-ol
SMILESCNC(c1ccccc1)C(C)CO
InChIInChI=1S/C11H17NO/c1-9(8-13)11(12-2)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3
InChIKeyUGCBBRIMDHYGCN-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol
CID 107204642
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
(3S)-3-hydroperoxy-2-methyl-3-phenylpropan-1-ol
CID 89323490
3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine
CID 69396432
3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845376
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol
CID 64614405

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-3-phenylpropan-1-ol?
The IUPAC name of 2-methyl-3-(methylamino)-3-phenylpropan-1-ol (CID 64813233) is 2-methyl-3-(methylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-(methylamino)-3-phenylpropan-1-ol?
The canonical SMILES for 2-methyl-3-(methylamino)-3-phenylpropan-1-ol is CNC(c1ccccc1)C(C)CO.
What is the InChIKey of 2-methyl-3-(methylamino)-3-phenylpropan-1-ol?
The InChIKey is UGCBBRIMDHYGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(8-13)11(12-2)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3.
What are the key properties of 2-methyl-3-(methylamino)-3-phenylpropan-1-ol?
2-methyl-3-(methylamino)-3-phenylpropan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 64813233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).