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

C14H21NO — CID 105004731

IUPAC1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine
SMILESCOc1ccc(CCC(N)C=C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-11(2)10-13(15)7-4-12-5-8-14(16-3)9-6-12/h5-6,8-10,13H,4,7,15H2,1-3H3
InChIKeyHAEFQJGWJKNAFP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.92
Rot. Bonds5

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

1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine (PubChem CID 105004731) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine
PubChem CID105004731
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine
SMILESCOc1ccc(CCC(N)C=C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-11(2)10-13(15)7-4-12-5-8-14(16-3)9-6-12/h5-6,8-10,13H,4,7,15H2,1-3H3
InChIKeyHAEFQJGWJKNAFP-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

5-methyl-1-(4-methylphenyl)hex-4-en-3-amine
CID 105163477
5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005375
1-(4-methoxyphenyl)-5-methylhex-5-en-3-amine
CID 105004098
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 43649353
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine?
The IUPAC name of 1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine (CID 105004731) is 1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine is COc1ccc(CCC(N)C=C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine?
The InChIKey is HAEFQJGWJKNAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)10-13(15)7-4-12-5-8-14(16-3)9-6-12/h5-6,8-10,13H,4,7,15H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine?
1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine is sourced from PubChem (CID 105004731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).