2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol

C15H25NO3 — CID 174574615

IUPAC2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol
SMILESCC(C)(C)C(=O)O.CNC(C)C(O)c1ccccc1
InChIInChI=1S/C10H15NO.C5H10O2/c1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4(6)7/h3-8,10-12H,1-2H3;1-3H3,(H,6,7)
InChIKeyDEWIAOFHIVDFMK-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.44
Rot. Bonds3

About 2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol

2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol (PubChem CID 174574615) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol
PubChem CID174574615
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol
SMILESCC(C)(C)C(=O)O.CNC(C)C(O)c1ccccc1
InChIInChI=1S/C10H15NO.C5H10O2/c1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4(6)7/h3-8,10-12H,1-2H3;1-3H3,(H,6,7)
InChIKeyDEWIAOFHIVDFMK-UHFFFAOYSA-N
XLogP2.44
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 15210216
2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 53463041
(1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
CID 69186898
(1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol
CID 76973466
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
CID 68984156
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 68984061
4-(methylamino)-3-phenylpentanoic acid;hydrochloride
CID 13300364
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol?
The IUPAC name of 2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol (CID 174574615) is 2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for 2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol?
The canonical SMILES for 2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol is CC(C)(C)C(=O)O.CNC(C)C(O)c1ccccc1.
What is the InChIKey of 2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol?
The InChIKey is DEWIAOFHIVDFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C5H10O2/c1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4(6)7/h3-8,10-12H,1-2H3;1-3H3,(H,6,7).
What are the key properties of 2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol?
2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 174574615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).