2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol

C17H21NO4 — CID 53463041

IUPAC2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol
SMILESCNC(C)C(O)c1ccccc1.O=C(O)c1ccccc1O
InChIInChI=1S/C10H15NO.C7H6O3/c1-8(11-2)10(12)9-6-4-3-5-7-9;8-6-4-2-1-3-5(6)7(9)10/h3-8,10-12H,1-2H3;1-4,8H,(H,9,10)
InChIKeyXPBWFIUTLFAFKC-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.42
Rot. Bonds4

About 2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol

2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol (PubChem CID 53463041) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol
PubChem CID53463041
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol
SMILESCNC(C)C(O)c1ccccc1.O=C(O)c1ccccc1O
InChIInChI=1S/C10H15NO.C7H6O3/c1-8(11-2)10(12)9-6-4-3-5-7-9;8-6-4-2-1-3-5(6)7(9)10/h3-8,10-12H,1-2H3;1-4,8H,(H,9,10)
InChIKeyXPBWFIUTLFAFKC-UHFFFAOYSA-N
XLogP2.42
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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
2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 174574615
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
(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
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;praseodymium
CID 87786006
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol?
The IUPAC name of 2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol (CID 53463041) is 2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for 2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol?
The canonical SMILES for 2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol is CNC(C)C(O)c1ccccc1.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol?
The InChIKey is XPBWFIUTLFAFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C7H6O3/c1-8(11-2)10(12)9-6-4-3-5-7-9;8-6-4-2-1-3-5(6)7(9)10/h3-8,10-12H,1-2H3;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol?
2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol has a molecular weight of 303.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 53463041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).