2-[(2-ethylphenyl)methylamino]propane-1,3-diol

C12H19NO2 — CID 65315433

IUPAC2-[(2-ethylphenyl)methylamino]propane-1,3-diol
SMILESCCc1ccccc1CNC(CO)CO
InChIInChI=1S/C12H19NO2/c1-2-10-5-3-4-6-11(10)7-13-12(8-14)9-15/h3-6,12-15H,2,7-9H2,1H3
InChIKeyHPZFDHQICMKKBE-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.69
Rot. Bonds6

About 2-[(2-ethylphenyl)methylamino]propane-1,3-diol

2-[(2-ethylphenyl)methylamino]propane-1,3-diol (PubChem CID 65315433) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methylamino]propane-1,3-diol
PubChem CID65315433
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[(2-ethylphenyl)methylamino]propane-1,3-diol
SMILESCCc1ccccc1CNC(CO)CO
InChIInChI=1S/C12H19NO2/c1-2-10-5-3-4-6-11(10)7-13-12(8-14)9-15/h3-6,12-15H,2,7-9H2,1H3
InChIKeyHPZFDHQICMKKBE-UHFFFAOYSA-N
XLogP0.69
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1,3-dihydroxypropan-2-ylamino)methyl]phenyl]acetic acid
CID 115462100
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 15278079
2-[(2-aminophenyl)methylamino]propane-1,3-diol
CID 66417695
2-[(1-hydroxyhexan-2-ylamino)methyl]phenol
CID 91522535
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
2-[2-[(1-hydroxypentan-3-ylamino)methyl]phenyl]acetic acid
CID 113495710
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol
CID 104980617
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
ethyl 2-[(2-ethylphenyl)methylamino]propanoate
CID 62391416
2-[(3-ethylphenyl)methylamino]propane-1,3-diol
CID 71028738
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(2-ethylphenyl)methylamino]propane-1,3-diol (CID 65315433) is 2-[(2-ethylphenyl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(2-ethylphenyl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(2-ethylphenyl)methylamino]propane-1,3-diol is CCc1ccccc1CNC(CO)CO.
What is the InChIKey of 2-[(2-ethylphenyl)methylamino]propane-1,3-diol?
The InChIKey is HPZFDHQICMKKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-10-5-3-4-6-11(10)7-13-12(8-14)9-15/h3-6,12-15H,2,7-9H2,1H3.
What are the key properties of 2-[(2-ethylphenyl)methylamino]propane-1,3-diol?
2-[(2-ethylphenyl)methylamino]propane-1,3-diol has a molecular weight of 209.29 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methylamino]propane-1,3-diol is sourced from PubChem (CID 65315433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).