1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol

C16H25NO2 — CID 111119048

IUPAC1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol
SMILESCCC(C)C(O)CNC/C=C/c1ccccc1OC
InChIInChI=1S/C16H25NO2/c1-4-13(2)15(18)12-17-11-7-9-14-8-5-6-10-16(14)19-3/h5-10,13,15,17-18H,4,11-12H2,1-3H3/b9-7+
InChIKeyLFTAJLPUJLLKRQ-VQHVLOKHSA-N
MW263.38 g/mol
LogP2.70
Rot. Bonds8

About 1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol

1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol (PubChem CID 111119048) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol
PubChem CID111119048
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol
SMILESCCC(C)C(O)CNC/C=C/c1ccccc1OC
InChIInChI=1S/C16H25NO2/c1-4-13(2)15(18)12-17-11-7-9-14-8-5-6-10-16(14)19-3/h5-10,13,15,17-18H,4,11-12H2,1-3H3/b9-7+
InChIKeyLFTAJLPUJLLKRQ-VQHVLOKHSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol
CID 110922625
N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
CID 4542946
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol
CID 171038223
4-(2-methoxyphenyl)but-3-en-2-ol
CID 72800651
2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid
CID 120509471
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
(E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine
CID 56823424
3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79346794
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol?
The IUPAC name of 1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol (CID 111119048) is 1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol.
What is the SMILES notation for 1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol?
The canonical SMILES for 1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol is CCC(C)C(O)CNC/C=C/c1ccccc1OC.
What is the InChIKey of 1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol?
The InChIKey is LFTAJLPUJLLKRQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-13(2)15(18)12-17-11-7-9-14-8-5-6-10-16(14)19-3/h5-10,13,15,17-18H,4,11-12H2,1-3H3/b9-7+.
What are the key properties of 1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol?
1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol is sourced from PubChem (CID 111119048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).