1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine

C17H20ClNO2 — CID 43486373

IUPAC1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-11-5-7-12(8-6-11)17(19-2)13-9-15(20-3)16(21-4)10-14(13)18/h5-10,17,19H,1-4H3
InChIKeyXLGPEYNHECBWMO-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.97
Rot. Bonds5

About 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine

1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 43486373) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID43486373
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-11-5-7-12(8-6-11)17(19-2)13-9-15(20-3)16(21-4)10-14(13)18/h5-10,17,19H,1-4H3
InChIKeyXLGPEYNHECBWMO-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4,5-dimethoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43486364
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43486324
1-(3-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 63195310
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 81283237
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine
CID 43486339
1-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43481207
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 82807584
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43486329
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43480974

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine (CID 43486373) is 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine is CNC(c1ccc(C)cc1)c1cc(OC)c(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is XLGPEYNHECBWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-5-7-12(8-6-11)17(19-2)13-9-15(20-3)16(21-4)10-14(13)18/h5-10,17,19H,1-4H3.
What are the key properties of 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 305.81 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 43486373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).