2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine

C12H18ClNO — CID 82552404

IUPAC2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
SMILESCNCCc1c(C)c(Cl)cc(C)c1OC
InChIInChI=1S/C12H18ClNO/c1-8-7-11(13)9(2)10(5-6-14-3)12(8)15-4/h7,14H,5-6H2,1-4H3
InChIKeyRWEDAJZKSWBFFI-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.73
Rot. Bonds4

About 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine

2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine (PubChem CID 82552404) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
PubChem CID82552404
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
SMILESCNCCc1c(C)c(Cl)cc(C)c1OC
InChIInChI=1S/C12H18ClNO/c1-8-7-11(13)9(2)10(5-6-14-3)12(8)15-4/h7,14H,5-6H2,1-4H3
InChIKeyRWEDAJZKSWBFFI-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methoxy-3,6-dimethylphenyl)propane-1-thiol
CID 83940433
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117361566
methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate
CID 82552401
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetonitrile
CID 84781042
2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine
CID 84796736
2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117465308
2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
CID 117403574
5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol
CID 117437713
1-[(5-chloro-2-methoxy-3,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354228
1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine
CID 82552354
2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83940555
2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693141

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine (CID 82552404) is 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine is CNCCc1c(C)c(Cl)cc(C)c1OC.
What is the InChIKey of 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine?
The InChIKey is RWEDAJZKSWBFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-8-7-11(13)9(2)10(5-6-14-3)12(8)15-4/h7,14H,5-6H2,1-4H3.
What are the key properties of 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine?
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine has a molecular weight of 227.73 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 82552404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).