(E)-5-(4-methoxyphenyl)pent-4-en-2-amine

C12H17NO — CID 55254782

IUPAC(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
SMILESCOc1ccc(/C=C/CC(C)N)cc1
InChIInChI=1S/C12H17NO/c1-10(13)4-3-5-11-6-8-12(14-2)9-7-11/h3,5-10H,4,13H2,1-2H3/b5-3+
InChIKeySMHULRJQZZXYCH-HWKANZROSA-N
MW191.27 g/mol
LogP2.45
Rot. Bonds4

About (E)-5-(4-methoxyphenyl)pent-4-en-2-amine

(E)-5-(4-methoxyphenyl)pent-4-en-2-amine (PubChem CID 55254782) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (E)-5-(4-methoxyphenyl)pent-4-en-2-amine.

Molecular Properties

Compound Name(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
PubChem CID55254782
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
SMILESCOc1ccc(/C=C/CC(C)N)cc1
InChIInChI=1S/C12H17NO/c1-10(13)4-3-5-11-6-8-12(14-2)9-7-11/h3,5-10H,4,13H2,1-2H3/b5-3+
InChIKeySMHULRJQZZXYCH-HWKANZROSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine
CID 70594419
(E)-5-phenylpent-4-en-2-amine
CID 55254237
dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate
CID 102494225
5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
CID 57293388
[(Z)-3-(4-methoxyphenyl)prop-2-enyl]-tri(propan-2-yl)silane
CID 134949359
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
methyl (E)-5-(4-methoxyphenyl)-2-nitropent-4-enoate
CID 102578095
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 50999745
(E,1S,2S)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,2-diol
CID 10517184
5-(4-aminopent-1-enyl)pyridin-2-amine
CID 67423049

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-methoxyphenyl)pent-4-en-2-amine?
The IUPAC name of (E)-5-(4-methoxyphenyl)pent-4-en-2-amine (CID 55254782) is (E)-5-(4-methoxyphenyl)pent-4-en-2-amine.
What is the SMILES notation for (E)-5-(4-methoxyphenyl)pent-4-en-2-amine?
The canonical SMILES for (E)-5-(4-methoxyphenyl)pent-4-en-2-amine is COc1ccc(/C=C/CC(C)N)cc1.
What is the InChIKey of (E)-5-(4-methoxyphenyl)pent-4-en-2-amine?
The InChIKey is SMHULRJQZZXYCH-HWKANZROSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(13)4-3-5-11-6-8-12(14-2)9-7-11/h3,5-10H,4,13H2,1-2H3/b5-3+.
What are the key properties of (E)-5-(4-methoxyphenyl)pent-4-en-2-amine?
(E)-5-(4-methoxyphenyl)pent-4-en-2-amine has a molecular weight of 191.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-methoxyphenyl)pent-4-en-2-amine is sourced from PubChem (CID 55254782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).