5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine

C13H19NO — CID 79591009

IUPAC5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine
SMILESCOc1cccc(CC(C)=CCCN)c1
InChIInChI=1S/C13H19NO/c1-11(5-4-8-14)9-12-6-3-7-13(10-12)15-2/h3,5-7,10H,4,8-9,14H2,1-2H3
InChIKeyBLBCJWGTWZIMED-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.53
Rot. Bonds5

About 5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine

5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine (PubChem CID 79591009) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine
PubChem CID79591009
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine
SMILESCOc1cccc(CC(C)=CCCN)c1
InChIInChI=1S/C13H19NO/c1-11(5-4-8-14)9-12-6-3-7-13(10-12)15-2/h3,5-7,10H,4,8-9,14H2,1-2H3
InChIKeyBLBCJWGTWZIMED-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.53
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

1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene
CID 68508341
1-methoxy-3-(5-methylhex-4-enyl)benzene
CID 143093894
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550
5-(4-bromophenyl)-4-methylpent-3-en-1-amine
CID 79592239
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
CID 66983281
1-(2-aminoethoxy)-3-(3-methoxyphenyl)propan-2-one
CID 116590894
(3-methoxyphenyl)(113C)methanol
CID 11593446
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
CID 57368856
1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
CID 24726859
1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene
CID 143526233
2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
CID 66983257

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine?
The IUPAC name of 5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine (CID 79591009) is 5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine is COc1cccc(CC(C)=CCCN)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine?
The InChIKey is BLBCJWGTWZIMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(5-4-8-14)9-12-6-3-7-13(10-12)15-2/h3,5-7,10H,4,8-9,14H2,1-2H3.
What are the key properties of 5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine?
5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79591009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).