5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine

C13H19NO — CID 105005375

IUPAC5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
SMILESC=C(C)C(N)CCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-5,7-8,13H,1,6,9,14H2,2-3H3
InChIKeyYMJWEUOXMVFUNK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.53
Rot. Bonds5

About 5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine

5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine (PubChem CID 105005375) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
PubChem CID105005375
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
SMILESC=C(C)C(N)CCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-5,7-8,13H,1,6,9,14H2,2-3H3
InChIKeyYMJWEUOXMVFUNK-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-(4-methoxyphenyl)-5-methylhex-5-en-3-amine
CID 105004098
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine
CID 105004731
N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005455
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
CID 115506222
2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 43649353
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine?
The IUPAC name of 5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine (CID 105005375) is 5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine is C=C(C)C(N)CCc1ccc(OC)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine?
The InChIKey is YMJWEUOXMVFUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-5,7-8,13H,1,6,9,14H2,2-3H3.
What are the key properties of 5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine?
5-(4-methoxyphenyl)-2-methylpent-1-en-3-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-(4-methoxyphenyl)-2-methylpent-1-en-3-amine is sourced from PubChem (CID 105005375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).