1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine

C15H14Br2ClNO — CID 107741801

IUPAC1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c1-19-8-10-6-12(16)15(13(17)7-10)20-9-11-4-2-3-5-14(11)18/h2-7,19H,8-9H2,1H3
InChIKeyPZBPJEKFCIYDHW-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.16
Rot. Bonds5

About 1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine

1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 107741801) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is 1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID107741801
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c1-19-8-10-6-12(16)15(13(17)7-10)20-9-11-4-2-3-5-14(11)18/h2-7,19H,8-9H2,1H3
InChIKeyPZBPJEKFCIYDHW-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-dibromo-4-[(2-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741910
1-[3,5-dibromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741724
2-[[2,6-dibromo-4-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107741779
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721356
1-[3,5-dibromo-4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 107741834
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386308
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718228
1-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-methylmethanamine;hydrochloride
CID 17290699
1-[3,5-dibromo-4-[(2,6-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741928
1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene
CID 58352129
1-[3,5-dibromo-4-[(2,5-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741643

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine (CID 107741801) is 1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1.
What is the InChIKey of 1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is PZBPJEKFCIYDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c1-19-8-10-6-12(16)15(13(17)7-10)20-9-11-4-2-3-5-14(11)18/h2-7,19H,8-9H2,1H3.
What are the key properties of 1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine?
1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 419.54 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 107741801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).