2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine

C12H18ClNO — CID 83893095

IUPAC2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine
SMILESCCOc1c(C)cc(Cl)cc1CCNC
InChIInChI=1S/C12H18ClNO/c1-4-15-12-9(2)7-11(13)8-10(12)5-6-14-3/h7-8,14H,4-6H2,1-3H3
InChIKeyKYJJOKIYSHLPRE-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.81
Rot. Bonds5

About 2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine

2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine (PubChem CID 83893095) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine
PubChem CID83893095
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine
SMILESCCOc1c(C)cc(Cl)cc1CCNC
InChIInChI=1S/C12H18ClNO/c1-4-15-12-9(2)7-11(13)8-10(12)5-6-14-3/h7-8,14H,4-6H2,1-3H3
InChIKeyKYJJOKIYSHLPRE-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine
CID 82550874
2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride
CID 44828457
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate
CID 110789555
N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine
CID 98033387
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
2,4-dichloro-6-[2-(methylamino)ethyl]phenol
CID 83889183
2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid
CID 83899428
2-(5-chloro-2-propoxyphenyl)-N-methylethanamine
CID 82550114
1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone
CID 83885927

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine (CID 83893095) is 2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine is CCOc1c(C)cc(Cl)cc1CCNC.
What is the InChIKey of 2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine?
The InChIKey is KYJJOKIYSHLPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-4-15-12-9(2)7-11(13)8-10(12)5-6-14-3/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine?
2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine has a molecular weight of 227.73 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 83893095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).