1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine

C17H20ClNO2 — CID 43626747

IUPAC1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C17H20ClNO2/c1-11-8-15(20-3)16(21-4)10-14(11)17(19-2)12-6-5-7-13(18)9-12/h5-10,17,19H,1-4H3
InChIKeyYMZRXQFKGMBAJJ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.97
Rot. Bonds5

About 1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine

1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine (PubChem CID 43626747) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
PubChem CID43626747
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C17H20ClNO2/c1-11-8-15(20-3)16(21-4)10-14(11)17(19-2)12-6-5-7-13(18)9-12/h5-10,17,19H,1-4H3
InChIKeyYMZRXQFKGMBAJJ-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-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810294
1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 43480965
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43626718
1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 104545912
1-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43486373
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989691
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43626732
1-(3-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114647006
(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 115811290
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65438567
1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 82883588

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine (CID 43626747) is 1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine is CNC(c1cccc(Cl)c1)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine?
The InChIKey is YMZRXQFKGMBAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-8-15(20-3)16(21-4)10-14(11)17(19-2)12-6-5-7-13(18)9-12/h5-10,17,19H,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine?
1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine 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-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43626747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).