2-(3-phenylprop-2-enylamino)propane-1,3-diol

C12H17NO2 — CID 77065033

IUPAC2-(3-phenylprop-2-enylamino)propane-1,3-diol
SMILESOCC(CO)NCC=Cc1ccccc1
InChIInChI=1S/C12H17NO2/c14-9-12(10-15)13-8-4-7-11-5-2-1-3-6-11/h1-7,12-15H,8-10H2
InChIKeyOHGUXKUNCTVNCM-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.64
Rot. Bonds6

About 2-(3-phenylprop-2-enylamino)propane-1,3-diol

2-(3-phenylprop-2-enylamino)propane-1,3-diol (PubChem CID 77065033) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3-phenylprop-2-enylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(3-phenylprop-2-enylamino)propane-1,3-diol
PubChem CID77065033
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3-phenylprop-2-enylamino)propane-1,3-diol
SMILESOCC(CO)NCC=Cc1ccccc1
InChIInChI=1S/C12H17NO2/c14-9-12(10-15)13-8-4-7-11-5-2-1-3-6-11/h1-7,12-15H,8-10H2
InChIKeyOHGUXKUNCTVNCM-UHFFFAOYSA-N
XLogP0.64
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(E)-3-phenylprop-2-enyl]amino]butan-1-ol;hydrochloride
CID 17290182
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol
CID 77439017
(2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butan-1-ol
CID 96907769
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
2-methyl-3-(3-phenylprop-2-enylamino)propan-1-ol
CID 76950990
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
3-methyl-2-[[(E)-3-phenylprop-2-enyl]amino]butanoic acid;hydrochloride
CID 51051827
1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine
CID 77055971
N-methyl-2-(3-phenylprop-2-enylamino)propanamide
CID 76940370
methyl 2-(3-phenylprop-2-enylamino)propanoate
CID 78989064

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-enylamino)propane-1,3-diol?
The IUPAC name of 2-(3-phenylprop-2-enylamino)propane-1,3-diol (CID 77065033) is 2-(3-phenylprop-2-enylamino)propane-1,3-diol.
What is the SMILES notation for 2-(3-phenylprop-2-enylamino)propane-1,3-diol?
The canonical SMILES for 2-(3-phenylprop-2-enylamino)propane-1,3-diol is OCC(CO)NCC=Cc1ccccc1.
What is the InChIKey of 2-(3-phenylprop-2-enylamino)propane-1,3-diol?
The InChIKey is OHGUXKUNCTVNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-9-12(10-15)13-8-4-7-11-5-2-1-3-6-11/h1-7,12-15H,8-10H2.
What are the key properties of 2-(3-phenylprop-2-enylamino)propane-1,3-diol?
2-(3-phenylprop-2-enylamino)propane-1,3-diol has a molecular weight of 207.27 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-enylamino)propane-1,3-diol is sourced from PubChem (CID 77065033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).