(E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine

C15H22ClNO2 — CID 103093259

IUPAC(E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C15H22ClNO2/c1-6-17-11(3)10(2)7-12-8-13(16)15(19-5)14(9-12)18-4/h7-9,11,17H,6H2,1-5H3/b10-7+
InChIKeyAZMGOMHLUYNTSR-JXMROGBWSA-N
MW283.80 g/mol
LogP3.76
Rot. Bonds6

About (E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine

(E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine (PubChem CID 103093259) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine
PubChem CID103093259
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C15H22ClNO2/c1-6-17-11(3)10(2)7-12-8-13(16)15(19-5)14(9-12)18-4/h7-9,11,17H,6H2,1-5H3/b10-7+
InChIKeyAZMGOMHLUYNTSR-JXMROGBWSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine?
The IUPAC name of (E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine (CID 103093259) is (E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine is CCNC(C)/C(C)=C/c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of (E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine?
The InChIKey is AZMGOMHLUYNTSR-JXMROGBWSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-6-17-11(3)10(2)7-12-8-13(16)15(19-5)14(9-12)18-4/h7-9,11,17H,6H2,1-5H3/b10-7+.
What are the key properties of (E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine?
(E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103093259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).