(2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol

C18H31NO2 — CID 167815224

IUPAC(2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol
SMILESCC(C)Cc1ccc(C(NC[C@](C)(O)CO)C(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-13(2)10-15-6-8-16(9-7-15)17(14(3)4)19-11-18(5,21)12-20/h6-9,13-14,17,19-21H,10-12H2,1-5H3/t17?,18-/m0/s1
InChIKeyHUAGDUHAWDFGEV-ZVAWYAOSSA-N
MW293.45 g/mol
LogP2.92
Rot. Bonds8

About (2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol

(2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol (PubChem CID 167815224) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol
PubChem CID167815224
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol
SMILESCC(C)Cc1ccc(C(NC[C@](C)(O)CO)C(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-13(2)10-15-6-8-16(9-7-15)17(14(3)4)19-11-18(5,21)12-20/h6-9,13-14,17,19-21H,10-12H2,1-5H3/t17?,18-/m0/s1
InChIKeyHUAGDUHAWDFGEV-ZVAWYAOSSA-N
XLogP2.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol with MolForge

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Related Compounds

2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
CID 65108431
N,N-dimethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 78817279
3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 165499580
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 8995951
2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide
CID 8996189
(2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide
CID 8996102
(2S)-2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide
CID 8996099
2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol
CID 66170728
2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 104860585
1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62773408

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol?
The IUPAC name of (2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol (CID 167815224) is (2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol.
What is the SMILES notation for (2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol?
The canonical SMILES for (2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol is CC(C)Cc1ccc(C(NC[C@](C)(O)CO)C(C)C)cc1.
What is the InChIKey of (2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol?
The InChIKey is HUAGDUHAWDFGEV-ZVAWYAOSSA-N. The full InChI is InChI=1S/C18H31NO2/c1-13(2)10-15-6-8-16(9-7-15)17(14(3)4)19-11-18(5,21)12-20/h6-9,13-14,17,19-21H,10-12H2,1-5H3/t17?,18-/m0/s1.
What are the key properties of (2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol?
(2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol has a molecular weight of 293.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol is sourced from PubChem (CID 167815224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).