3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol

C14H23NO2 — CID 12855751

IUPAC3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
SMILESCC(C)(CCc1ccccc1)NCC(O)CO
InChIInChI=1S/C14H23NO2/c1-14(2,15-10-13(17)11-16)9-8-12-6-4-3-5-7-12/h3-7,13,15-17H,8-11H2,1-2H3
InChIKeyZBSIVAZNMTWIKL-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.34
Rot. Bonds7

About 3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol

3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol (PubChem CID 12855751) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
PubChem CID12855751
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
SMILESCC(C)(CCc1ccccc1)NCC(O)CO
InChIInChI=1S/C14H23NO2/c1-14(2,15-10-13(17)11-16)9-8-12-6-4-3-5-7-12/h3-7,13,15-17H,8-11H2,1-2H3
InChIKeyZBSIVAZNMTWIKL-UHFFFAOYSA-N
XLogP1.34
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
(2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol
CID 70658760
1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol
CID 12855748
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide
CID 103822680
2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile
CID 13030669
2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol
CID 13079634
2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid
CID 114990394
N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
CID 113231354
N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
CID 115997324
2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide
CID 115690814

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol (CID 12855751) is 3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol is CC(C)(CCc1ccccc1)NCC(O)CO.
What is the InChIKey of 3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol?
The InChIKey is ZBSIVAZNMTWIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,15-10-13(17)11-16)9-8-12-6-4-3-5-7-12/h3-7,13,15-17H,8-11H2,1-2H3.
What are the key properties of 3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol?
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol has a molecular weight of 237.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol is sourced from PubChem (CID 12855751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).