1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine

C15H14Cl3NO — CID 43561947

IUPAC1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C15H14Cl3NO/c1-19-15(9-5-10(16)7-11(17)6-9)13-4-3-12(20-2)8-14(13)18/h3-8,15,19H,1-2H3
InChIKeyMUKGCIQDGKESPD-UHFFFAOYSA-N
MW330.64 g/mol
LogP4.96
Rot. Bonds4

About 1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine

1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine (PubChem CID 43561947) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
PubChem CID43561947
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Cl)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C15H14Cl3NO/c1-19-15(9-5-10(16)7-11(17)6-9)13-4-3-12(20-2)8-14(13)18/h3-8,15,19H,1-2H3
InChIKeyMUKGCIQDGKESPD-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.64
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43561906
1-(2-chloro-4-methoxyphenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43561902
1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43561996
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215110
1-(3-chloro-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81323002
1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 107998666
N-[(2-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315884
1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561945
1-(2-chloro-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 62504560
1-(3-chloro-5-methylphenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 81324012
[(3,5-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397720
1-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561896

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine (CID 43561947) is 1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine is CNC(c1cc(Cl)cc(Cl)c1)c1ccc(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine?
The InChIKey is MUKGCIQDGKESPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO/c1-19-15(9-5-10(16)7-11(17)6-9)13-4-3-12(20-2)8-14(13)18/h3-8,15,19H,1-2H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine?
1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine has a molecular weight of 330.64 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43561947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).