(E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine

C15H23NO2 — CID 95460067

IUPAC(E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine
SMILESCOc1ccc(/C(=C/CCN)C(C)C)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-11(2)13(6-5-9-16)14-8-7-12(17-3)10-15(14)18-4/h6-8,10-11H,5,9,16H2,1-4H3/b13-6+
InChIKeyKQMJQZPJVMZMSU-AWNIVKPZSA-N
MW249.35 g/mol
LogP3.09
Rot. Bonds6

About (E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine

(E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine (PubChem CID 95460067) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine
PubChem CID95460067
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine
SMILESCOc1ccc(/C(=C/CCN)C(C)C)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-11(2)13(6-5-9-16)14-8-7-12(17-3)10-15(14)18-4/h6-8,10-11H,5,9,16H2,1-4H3/b13-6+
InChIKeyKQMJQZPJVMZMSU-AWNIVKPZSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-(2-methoxy-4-propan-2-ylphenyl)-5-methylhex-3-en-1-amine
CID 95467826
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine
CID 79591542
(E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine
CID 95449708
3-chloro-3-(2,4-dimethoxyphenyl)prop-2-enal
CID 86190919
N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 61349332
N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 112701391
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
2,4-dimethoxybenzoic acid
CID 7052

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine?
The IUPAC name of (E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine (CID 95460067) is (E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine.
What is the SMILES notation for (E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine?
The canonical SMILES for (E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine is COc1ccc(/C(=C/CCN)C(C)C)c(OC)c1.
What is the InChIKey of (E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine?
The InChIKey is KQMJQZPJVMZMSU-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)13(6-5-9-16)14-8-7-12(17-3)10-15(14)18-4/h6-8,10-11H,5,9,16H2,1-4H3/b13-6+.
What are the key properties of (E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine?
(E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine is sourced from PubChem (CID 95460067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).