2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine

C12H16ClNO — CID 114321489

IUPAC2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
SMILESC=C(C)COc1cccc(Cl)c1CCN
InChIInChI=1S/C12H16ClNO/c1-9(2)8-15-12-5-3-4-11(13)10(12)6-7-14/h3-5H,1,6-8,14H2,2H3
InChIKeyCWXBMPPZTMCCCD-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.80
Rot. Bonds5

About 2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine

2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine (PubChem CID 114321489) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
PubChem CID114321489
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
SMILESC=C(C)COc1cccc(Cl)c1CCN
InChIInChI=1S/C12H16ClNO/c1-9(2)8-15-12-5-3-4-11(13)10(12)6-7-14/h3-5H,1,6-8,14H2,2H3
InChIKeyCWXBMPPZTMCCCD-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.80
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

2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-prop-2-ynylacetamide
CID 114321651
[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine
CID 114318588
2-(2-chloro-6-decoxyphenyl)ethanamine
CID 114321578
2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine
CID 63815236
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine
CID 106437069
2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
CID 63816618
2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine
CID 114321436
2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine
CID 114321645
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine (CID 114321489) is 2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine is C=C(C)COc1cccc(Cl)c1CCN.
What is the InChIKey of 2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine?
The InChIKey is CWXBMPPZTMCCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9(2)8-15-12-5-3-4-11(13)10(12)6-7-14/h3-5H,1,6-8,14H2,2H3.
What are the key properties of 2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine?
2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine has a molecular weight of 225.72 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 114321489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).