2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine

C12H18ClNO — CID 62450743

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine
SMILESCNCC(C)Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C12H18ClNO/c1-8-5-11(13)6-9(2)12(8)15-10(3)7-14-4/h5-6,10,14H,7H2,1-4H3
InChIKeyBUPREYARUFIUES-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.94
Rot. Bonds4

About 2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine

2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine (PubChem CID 62450743) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine
PubChem CID62450743
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine
SMILESCNCC(C)Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C12H18ClNO/c1-8-5-11(13)6-9(2)12(8)15-10(3)7-14-4/h5-6,10,14H,7H2,1-4H3
InChIKeyBUPREYARUFIUES-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine
CID 63498348
N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine
CID 175035603
2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine
CID 63498349
2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride
CID 44828457
2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine
CID 102986348
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine
CID 62451103
2-(5-chloro-2-ethoxy-3-methylphenyl)-N-methylethanamine
CID 83893095
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
1-(bromomethyl)-5-chloro-2-(difluoromethoxy)-3-methylbenzene
CID 131311635
N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine
CID 115554059

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine (CID 62450743) is 2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine is CNCC(C)Oc1c(C)cc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine?
The InChIKey is BUPREYARUFIUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-8-5-11(13)6-9(2)12(8)15-10(3)7-14-4/h5-6,10,14H,7H2,1-4H3.
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine?
2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 62450743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).