4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine

C12H17NO — CID 76997095

IUPAC4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
SMILESCOc1ccc(CC(C)=CCN)cc1
InChIInChI=1S/C12H17NO/c1-10(7-8-13)9-11-3-5-12(14-2)6-4-11/h3-7H,8-9,13H2,1-2H3
InChIKeyFZWXJBIRGYIAQY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.14
Rot. Bonds4

About 4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine

4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine (PubChem CID 76997095) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
PubChem CID76997095
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
SMILESCOc1ccc(CC(C)=CCN)cc1
InChIInChI=1S/C12H17NO/c1-10(7-8-13)9-11-3-5-12(14-2)6-4-11/h3-7H,8-9,13H2,1-2H3
InChIKeyFZWXJBIRGYIAQY-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(4-methoxyphenyl)-3-methylbut-2-enoate
CID 54482573
(E)-4-(4-methoxyphenyl)-3-methyl-1-phenylbut-2-en-1-amine
CID 10539781
6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine
CID 76997298
2-chloro-N-[(E)-3-(4-methoxyphenyl)-2-methylprop-1-enyl]acetamide
CID 139716897
1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
CID 101240761
1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene
CID 145479406
(E)-5-(4-methoxyphenyl)-2-methylpent-2-en-1-ol
CID 10420524
5-(4-bromophenyl)-4-methylpent-3-en-1-amine
CID 79592239
(4-methoxyphenyl)methanol
CID 7738
5-[4-(difluoromethoxy)phenyl]-3-methylpent-2-en-1-amine
CID 76997203
2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene
CID 54181716
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine?
The IUPAC name of 4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine (CID 76997095) is 4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine is COc1ccc(CC(C)=CCN)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine?
The InChIKey is FZWXJBIRGYIAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(7-8-13)9-11-3-5-12(14-2)6-4-11/h3-7H,8-9,13H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine?
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 76997095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).