6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine

C14H21NO — CID 76997298

IUPAC6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine
SMILESCOc1ccc(CCC(C)=CCCN)cc1
InChIInChI=1S/C14H21NO/c1-12(4-3-11-15)5-6-13-7-9-14(16-2)10-8-13/h4,7-10H,3,5-6,11,15H2,1-2H3
InChIKeyYIMHDNGBAHKGRZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.92
Rot. Bonds6

About 6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine

6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine (PubChem CID 76997298) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine
PubChem CID76997298
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine
SMILESCOc1ccc(CCC(C)=CCCN)cc1
InChIInChI=1S/C14H21NO/c1-12(4-3-11-15)5-6-13-7-9-14(16-2)10-8-13/h4,7-10H,3,5-6,11,15H2,1-2H3
InChIKeyYIMHDNGBAHKGRZ-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.92
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

(E)-5-(4-methoxyphenyl)-2-methylpent-2-en-1-ol
CID 10420524
4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine
CID 59029480
(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 68909692
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095
5-[4-(difluoromethoxy)phenyl]-3-methylpent-2-en-1-amine
CID 76997203
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine?
The IUPAC name of 6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine (CID 76997298) is 6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine is COc1ccc(CCC(C)=CCCN)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine?
The InChIKey is YIMHDNGBAHKGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(4-3-11-15)5-6-13-7-9-14(16-2)10-8-13/h4,7-10H,3,5-6,11,15H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine?
6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-methylhex-3-en-1-amine is sourced from PubChem (CID 76997298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).