(E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine

C13H18ClNO — CID 10752516

IUPAC(E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine
SMILESCOc1ccc(Cl)c(CC/C=C/CCN)c1
InChIInChI=1S/C13H18ClNO/c1-16-12-7-8-13(14)11(10-12)6-4-2-3-5-9-15/h2-3,7-8,10H,4-6,9,15H2,1H3/b3-2+
InChIKeyARYKOQNTLUFMJQ-NSCUHMNNSA-N
MW239.75 g/mol
LogP3.19
Rot. Bonds6

About (E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine

(E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine (PubChem CID 10752516) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine.

Molecular Properties

Compound Name(E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine
PubChem CID10752516
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine
SMILESCOc1ccc(Cl)c(CC/C=C/CCN)c1
InChIInChI=1S/C13H18ClNO/c1-16-12-7-8-13(14)11(10-12)6-4-2-3-5-9-15/h2-3,7-8,10H,4-6,9,15H2,1H3/b3-2+
InChIKeyARYKOQNTLUFMJQ-NSCUHMNNSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.19
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

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CID 11687211
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2-(2-bromo-5-methoxyphenyl)ethanamine
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(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene
CID 83941597
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
2-[2-(4-aminobut-1-enyl)-4-methoxyphenyl]acetic acid
CID 170487768
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439
2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine
CID 69464363
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene
CID 65317020
3-(3-chloro-2-hydroxy-5-methoxyphenyl)propanal
CID 117305889

Frequently Asked Questions

What is the IUPAC name of (E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine?
The IUPAC name of (E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine (CID 10752516) is (E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine.
What is the SMILES notation for (E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine?
The canonical SMILES for (E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine is COc1ccc(Cl)c(CC/C=C/CCN)c1.
What is the InChIKey of (E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine?
The InChIKey is ARYKOQNTLUFMJQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-12-7-8-13(14)11(10-12)6-4-2-3-5-9-15/h2-3,7-8,10H,4-6,9,15H2,1H3/b3-2+.
What are the key properties of (E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine?
(E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine has a molecular weight of 239.75 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(2-chloro-5-methoxyphenyl)hex-3-en-1-amine is sourced from PubChem (CID 10752516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).