N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline

C15H16BrNO — CID 60965802

IUPACN-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H16BrNO/c1-17(11-12-6-5-7-13(16)10-12)14-8-3-4-9-15(14)18-2/h3-10H,11H2,1-2H3
InChIKeyRVTQMUJTRYDNBV-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.09
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline

N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline (PubChem CID 60965802) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
PubChem CID60965802
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H16BrNO/c1-17(11-12-6-5-7-13(16)10-12)14-8-3-4-9-15(14)18-2/h3-10H,11H2,1-2H3
InChIKeyRVTQMUJTRYDNBV-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 61416058
N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415283
4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 61415618
[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol
CID 61416355
5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methoxyaniline
CID 61415802
N-[(3-bromophenyl)methyl]-N,3-dimethylaniline
CID 55193940
1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 101442769
2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 82972205
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
CID 62018180
2-[(3-bromophenyl)methyl-methylamino]-5-fluorobenzaldehyde
CID 61416401
N'-[(3-bromophenyl)methyl]-N-(2-hydroxyphenyl)-N'-(2-methoxyphenyl)butanediamide
CID 71616759
S-[6-[N-[(3-bromophenyl)methyl]-2-methoxyanilino]-6-oxohexyl] ethanethioate
CID 71615936

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline (CID 60965802) is N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline is COc1ccccc1N(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline?
The InChIKey is RVTQMUJTRYDNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-17(11-12-6-5-7-13(16)10-12)14-8-3-4-9-15(14)18-2/h3-10H,11H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline?
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline has a molecular weight of 306.20 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline is sourced from PubChem (CID 60965802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).