1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol

C14H22N2O — CID 4720329

IUPAC1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol
SMILESCC(O)CNCCNCC=Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-13(17)12-16-11-10-15-9-5-8-14-6-3-2-4-7-14/h2-8,13,15-17H,9-12H2,1H3
InChIKeySXNUHEXNBZRAMU-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.26
Rot. Bonds8

About 1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol

1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol (PubChem CID 4720329) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol
PubChem CID4720329
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol
SMILESCC(O)CNCCNCC=Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-13(17)12-16-11-10-15-9-5-8-14-6-3-2-4-7-14/h2-8,13,15-17H,9-12H2,1H3
InChIKeySXNUHEXNBZRAMU-UHFFFAOYSA-N
XLogP1.26
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(3-phenylprop-2-enylamino)propan-1-ol
CID 76950990
2-[[2-(3-phenylprop-2-enylamino)ethylamino]methyl]phenol
CID 70598852
1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 6198651
3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide
CID 112688565
1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride
CID 78411509
N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 93072425
N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide
CID 62341302
(Z)-3-phenyl-N-(2-phenylethyl)prop-2-en-1-amine
CID 93072278
3-[[(E)-3-phenylprop-2-enyl]amino]propanoic acid;hydrochloride
CID 163331518
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
N'-(3-phenylprop-2-enyl)propane-1,3-diamine
CID 76940305
3-methyl-N-[(E)-3-phenylprop-2-enyl]but-2-en-1-amine
CID 103527857

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol (CID 4720329) is 1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol is CC(O)CNCCNCC=Cc1ccccc1.
What is the InChIKey of 1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol?
The InChIKey is SXNUHEXNBZRAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-13(17)12-16-11-10-15-9-5-8-14-6-3-2-4-7-14/h2-8,13,15-17H,9-12H2,1H3.
What are the key properties of 1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol?
1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 1.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol is sourced from PubChem (CID 4720329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).