3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol

C13H19NO — CID 68679938

IUPAC3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
SMILESCC(=Cc1ccccc1)CNCCCO
InChIInChI=1S/C13H19NO/c1-12(11-14-8-5-9-15)10-13-6-3-2-4-7-13/h2-4,6-7,10,14-15H,5,8-9,11H2,1H3
InChIKeyVMZUIQWWGIWLGB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.06
Rot. Bonds6

About 3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol

3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol (PubChem CID 68679938) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
PubChem CID68679938
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
SMILESCC(=Cc1ccccc1)CNCCCO
InChIInChI=1S/C13H19NO/c1-12(11-14-8-5-9-15)10-13-6-3-2-4-7-13/h2-4,6-7,10,14-15H,5,8-9,11H2,1H3
InChIKeyVMZUIQWWGIWLGB-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-N-(3-methylsulfanylpropyl)-3-phenylprop-2-en-1-amine
CID 115639100
(E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine
CID 119107756
2-methyl-3-phenyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine
CID 68681903
N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide
CID 119108394
N'-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119108037
3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434
(E)-2-methyl-N-(2-methylsulfanylethyl)-3-phenylprop-2-en-1-amine;hydrochloride
CID 115605448
3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
CID 115875443
2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
CID 69252913
2-methyl-3-phenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine
CID 68682291
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol
CID 119123695

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol?
The IUPAC name of 3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol (CID 68679938) is 3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol is CC(=Cc1ccccc1)CNCCCO.
What is the InChIKey of 3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol?
The InChIKey is VMZUIQWWGIWLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-12(11-14-8-5-9-15)10-13-6-3-2-4-7-13/h2-4,6-7,10,14-15H,5,8-9,11H2,1H3.
What are the key properties of 3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol?
3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol is sourced from PubChem (CID 68679938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).