N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine

C16H17BrClNO2 — CID 83232246

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(Cl)c(Br)c2)cc1OC
InChIInChI=1S/C16H17BrClNO2/c1-20-15-6-4-12(8-16(15)21-2)10-19-9-11-3-5-14(18)13(17)7-11/h3-8,19H,9-10H2,1-2H3
InChIKeyPPAKQDSYQGDUTR-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.41
Rot. Bonds6

About N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine

N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine (PubChem CID 83232246) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
PubChem CID83232246
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(Cl)c(Br)c2)cc1OC
InChIInChI=1S/C16H17BrClNO2/c1-20-15-6-4-12(8-16(15)21-2)10-19-9-11-3-5-14(18)13(17)7-11/h3-8,19H,9-10H2,1-2H3
InChIKeyPPAKQDSYQGDUTR-UHFFFAOYSA-N
XLogP4.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline
CID 83235721
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 60615931
1-(3-bromo-4-methoxyphenyl)-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 55378408
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
N'-[(3-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107998990
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861
N-[(3-bromo-4-methoxyphenyl)methyl]-2-chloroethanamine
CID 65026221
4-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]aniline
CID 115212471
N-[(3-bromo-5-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 112731993
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
CID 11303039
CID 11303039
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine (CID 83232246) is N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine is COc1ccc(CNCc2ccc(Cl)c(Br)c2)cc1OC.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine?
The InChIKey is PPAKQDSYQGDUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-20-15-6-4-12(8-16(15)21-2)10-19-9-11-3-5-14(18)13(17)7-11/h3-8,19H,9-10H2,1-2H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine?
N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine has a molecular weight of 370.67 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 83232246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).