1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine

C15H15Cl2N — CID 44568652

IUPAC1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-18-10-13-5-3-2-4-12(13)8-11-6-7-14(16)15(17)9-11/h2-7,9,18H,8,10H2,1H3
InChIKeyTYVFKNAUSZXXJC-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.30
Rot. Bonds4

About 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine

1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine (PubChem CID 44568652) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine
PubChem CID44568652
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-18-10-13-5-3-2-4-12(13)8-11-6-7-14(16)15(17)9-11/h2-7,9,18H,8,10H2,1H3
InChIKeyTYVFKNAUSZXXJC-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine (CID 44568652) is 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine is CNCc1ccccc1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is TYVFKNAUSZXXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-18-10-13-5-3-2-4-12(13)8-11-6-7-14(16)15(17)9-11/h2-7,9,18H,8,10H2,1H3.
What are the key properties of 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine?
1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine has a molecular weight of 280.20 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 44568652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).