3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol

C14H23NO2 — CID 115122512

IUPAC3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol
SMILESCc1ccccc1C(C)(C)CNCC(O)CO
InChIInChI=1S/C14H23NO2/c1-11-6-4-5-7-13(11)14(2,3)10-15-8-12(17)9-16/h4-7,12,15-17H,8-10H2,1-3H3
InChIKeyLZFGPCJQAPRZAZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.22
Rot. Bonds6

About 3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol

3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol (PubChem CID 115122512) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol
PubChem CID115122512
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol
SMILESCc1ccccc1C(C)(C)CNCC(O)CO
InChIInChI=1S/C14H23NO2/c1-11-6-4-5-7-13(11)14(2,3)10-15-8-12(17)9-16/h4-7,12,15-17H,8-10H2,1-3H3
InChIKeyLZFGPCJQAPRZAZ-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122528
2-methyl-2-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62596032
3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol
CID 115122517
3-methyl-4-[[2-methyl-2-(2-methylphenyl)propyl]amino]butanoic acid
CID 115220160
N-(bromomethyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115262622
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122482
N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206673
2-amino-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 115121053
3-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122499
3-methyl-3-[[2-methyl-2-(2-methylphenyl)propyl]amino]butan-1-ol
CID 115134383
N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115216039
3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol
CID 116789164

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol?
The IUPAC name of 3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol (CID 115122512) is 3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol is Cc1ccccc1C(C)(C)CNCC(O)CO.
What is the InChIKey of 3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol?
The InChIKey is LZFGPCJQAPRZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-6-4-5-7-13(11)14(2,3)10-15-8-12(17)9-16/h4-7,12,15-17H,8-10H2,1-3H3.
What are the key properties of 3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol?
3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol has a molecular weight of 237.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol is sourced from PubChem (CID 115122512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).