(E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine

C17H27NO — CID 95467879

IUPAC(E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine
SMILESCOc1ccc(/C(=C/CCCN)C(C)C)c(C)c1C
InChIInChI=1S/C17H27NO/c1-12(2)15(8-6-7-11-18)16-9-10-17(19-5)14(4)13(16)3/h8-10,12H,6-7,11,18H2,1-5H3/b15-8+
InChIKeyAQZQMOHJGUTTRW-OVCLIPMQSA-N
MW261.41 g/mol
LogP4.09
Rot. Bonds6

About (E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine

(E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine (PubChem CID 95467879) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine.

Molecular Properties

Compound Name(E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine
PubChem CID95467879
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine
SMILESCOc1ccc(/C(=C/CCCN)C(C)C)c(C)c1C
InChIInChI=1S/C17H27NO/c1-12(2)15(8-6-7-11-18)16-9-10-17(19-5)14(4)13(16)3/h8-10,12H,6-7,11,18H2,1-5H3/b15-8+
InChIKeyAQZQMOHJGUTTRW-OVCLIPMQSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine
CID 95449708
(E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine
CID 95460067
(E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine
CID 95467826
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
(E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine
CID 95467750
1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 82494135
N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide
CID 115271620
3-(4-methoxy-2,3-dimethylphenyl)-3-oxopropanal
CID 82470279
methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate
CID 116923616
2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931100
2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82053664
ethyl 5-(4-methoxy-2,3-dimethylphenyl)-5-oxopentanoate;methanamine
CID 143136874

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine?
The IUPAC name of (E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine (CID 95467879) is (E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine.
What is the SMILES notation for (E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine?
The canonical SMILES for (E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine is COc1ccc(/C(=C/CCCN)C(C)C)c(C)c1C.
What is the InChIKey of (E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine?
The InChIKey is AQZQMOHJGUTTRW-OVCLIPMQSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)15(8-6-7-11-18)16-9-10-17(19-5)14(4)13(16)3/h8-10,12H,6-7,11,18H2,1-5H3/b15-8+.
What are the key properties of (E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine?
(E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-methoxy-2,3-dimethylphenyl)-6-methylhept-4-en-1-amine is sourced from PubChem (CID 95467879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).