(E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine

C16H25NO2 — CID 98017457

IUPAC(E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine
SMILESCOc1cc(/C=C/CCC(C)(C)N)c(OC)cc1C
InChIInChI=1S/C16H25NO2/c1-12-10-15(19-5)13(11-14(12)18-4)8-6-7-9-16(2,3)17/h6,8,10-11H,7,9,17H2,1-5H3/b8-6+
InChIKeyPKKZWJBSRMNEJW-SOFGYWHQSA-N
MW263.38 g/mol
LogP3.54
Rot. Bonds6

About (E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine

(E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine (PubChem CID 98017457) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine.

Molecular Properties

Compound Name(E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine
PubChem CID98017457
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine
SMILESCOc1cc(/C=C/CCC(C)(C)N)c(OC)cc1C
InChIInChI=1S/C16H25NO2/c1-12-10-15(19-5)13(11-14(12)18-4)8-6-7-9-16(2,3)17/h6,8,10-11H,7,9,17H2,1-5H3/b8-6+
InChIKeyPKKZWJBSRMNEJW-SOFGYWHQSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol
CID 10512550
(E)-4-(4-methoxy-2,5-dimethylphenyl)but-3-en-1-amine
CID 82077157
4-(4-methoxy-2,5-dimethylphenyl)but-3-ene-1-thiol
CID 170478636
(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 117285336
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine
CID 95477417
3-(4-methoxy-2,5-dimethylphenyl)prop-2-ene-1-thiol
CID 169455467
(E)-3-(2-bromo-5-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 117393264
ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene
CID 143806811
(E)-3-(5-methoxy-4-methyl-2-methylsulfonylphenyl)prop-2-en-1-amine
CID 117391619
N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine
CID 163177021
2-(2,5-dimethoxy-4-methylphenyl)-N-hydroxyethenamine oxide
CID 163177020

Frequently Asked Questions

What is the IUPAC name of (E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine?
The IUPAC name of (E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine (CID 98017457) is (E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine.
What is the SMILES notation for (E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine?
The canonical SMILES for (E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine is COc1cc(/C=C/CCC(C)(C)N)c(OC)cc1C.
What is the InChIKey of (E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine?
The InChIKey is PKKZWJBSRMNEJW-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-10-15(19-5)13(11-14(12)18-4)8-6-7-9-16(2,3)17/h6,8,10-11H,7,9,17H2,1-5H3/b8-6+.
What are the key properties of (E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine?
(E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(2,5-dimethoxy-4-methylphenyl)-2-methylhex-5-en-2-amine is sourced from PubChem (CID 98017457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).