2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol

C14H23NO2 — CID 23274552

IUPAC2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol
SMILESCC(C)C(C)NC(CO)C(O)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-10(2)11(3)15-13(9-16)14(17)12-7-5-4-6-8-12/h4-8,10-11,13-17H,9H2,1-3H3
InChIKeyHHKZIWCLEUALDX-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.72
Rot. Bonds6

About 2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol

2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol (PubChem CID 23274552) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol
PubChem CID23274552
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol
SMILESCC(C)C(C)NC(CO)C(O)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-10(2)11(3)15-13(9-16)14(17)12-7-5-4-6-8-12/h4-8,10-11,13-17H,9H2,1-3H3
InChIKeyHHKZIWCLEUALDX-UHFFFAOYSA-N
XLogP1.72
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
CID 11735943
(2S,3R)-3-(1-phenylethylamino)butane-1,2,4-triol
CID 70991072
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide
CID 13382276
N-(1,3-dihydroxy-1-phenylpropan-2-yl)formamide
CID 13382275
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
3-methyl-1-phenyl-2-(1-phenylethylamino)butan-1-ol
CID 82312219
3,3-diphenyl-2-(propan-2-ylamino)propan-1-ol
CID 107292892
1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol
CID 159196107
(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine
CID 29012459
1-phenyl-2-(1-phenylpropylamino)propan-1-ol
CID 12999293
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylprop-2-enamide
CID 101364759

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol?
The IUPAC name of 2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol (CID 23274552) is 2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol is CC(C)C(C)NC(CO)C(O)c1ccccc1.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol?
The InChIKey is HHKZIWCLEUALDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)11(3)15-13(9-16)14(17)12-7-5-4-6-8-12/h4-8,10-11,13-17H,9H2,1-3H3.
What are the key properties of 2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol?
2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol has a molecular weight of 237.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol is sourced from PubChem (CID 23274552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).