1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine

C17H20ClNO2 — CID 63815045

IUPAC1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine
SMILESCOc1cc(C)ccc1Oc1cccc(Cl)c1CC(C)N
InChIInChI=1S/C17H20ClNO2/c1-11-7-8-16(17(9-11)20-3)21-15-6-4-5-14(18)13(15)10-12(2)19/h4-9,12H,10,19H2,1-3H3
InChIKeyOMAYFLQEFKEDTR-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.34
Rot. Bonds5

About 1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine

1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine (PubChem CID 63815045) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine
PubChem CID63815045
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine
SMILESCOc1cc(C)ccc1Oc1cccc(Cl)c1CC(C)N
InChIInChI=1S/C17H20ClNO2/c1-11-7-8-16(17(9-11)20-3)21-15-6-4-5-14(18)13(15)10-12(2)19/h4-9,12H,10,19H2,1-3H3
InChIKeyOMAYFLQEFKEDTR-UHFFFAOYSA-N
XLogP4.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220
4-[[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]methyl]-1,2,4-triazole-3,5-diamine
CID 118294544
1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 63803488
2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile
CID 60701774
1-[2-(2-chloro-5-methylphenoxy)phenyl]propan-2-amine
CID 63803481
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-(2-chloro-6-methoxyphenyl)-4-methylpentan-2-amine
CID 104816512
1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene
CID 2284407
1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene
CID 114065514
1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63815753
1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine
CID 63802149
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine
CID 63880238

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine (CID 63815045) is 1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine is COc1cc(C)ccc1Oc1cccc(Cl)c1CC(C)N.
What is the InChIKey of 1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine?
The InChIKey is OMAYFLQEFKEDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-7-8-16(17(9-11)20-3)21-15-6-4-5-14(18)13(15)10-12(2)19/h4-9,12H,10,19H2,1-3H3.
What are the key properties of 1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine?
1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine has a molecular weight of 305.81 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63815045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).