1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine

C15H15Cl2NO — CID 43480965

IUPAC1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-18-15(10-4-3-5-12(16)8-10)11-6-7-14(19-2)13(17)9-11/h3-9,15,18H,1-2H3
InChIKeyLSRXXVSRMHTYCT-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.31
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine

1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine (PubChem CID 43480965) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
PubChem CID43480965
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-18-15(10-4-3-5-12(16)8-10)11-6-7-14(19-2)13(17)9-11/h3-9,15,18H,1-2H3
InChIKeyLSRXXVSRMHTYCT-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine (CID 43480965) is 1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine is CNC(c1cccc(Cl)c1)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine?
The InChIKey is LSRXXVSRMHTYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-18-15(10-4-3-5-12(16)8-10)11-6-7-14(19-2)13(17)9-11/h3-9,15,18H,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine?
1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine has a molecular weight of 296.20 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43480965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).