N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline

C17H20BrNO — CID 66473407

IUPACN-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline
SMILESCOc1c(C)ccc(NCc2ccc(Br)c(C)c2)c1C
InChIInChI=1S/C17H20BrNO/c1-11-5-8-16(13(3)17(11)20-4)19-10-14-6-7-15(18)12(2)9-14/h5-9,19H,10H2,1-4H3
InChIKeyIFPGAOLSPYDPII-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.00
Rot. Bonds4

About N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline

N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline (PubChem CID 66473407) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline
PubChem CID66473407
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline
SMILESCOc1c(C)ccc(NCc2ccc(Br)c(C)c2)c1C
InChIInChI=1S/C17H20BrNO/c1-11-5-8-16(13(3)17(11)20-4)19-10-14-6-7-15(18)12(2)9-14/h5-9,19H,10H2,1-4H3
InChIKeyIFPGAOLSPYDPII-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43739022
N-[(4-bromo-3-methylphenyl)methyl]-2-methylaniline
CID 66472582
N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 66473576
N-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 43432267
N-[(4-bromo-3-methylphenyl)methyl]-2-methoxy-4-nitroaniline
CID 66474007
5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline
CID 43787845
4-[(3-methoxy-2,4-dimethylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202971
N-[(4-bromo-3-methylphenyl)methyl]-2,3-difluoroaniline
CID 66472419
N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 43738958
3-bromo-5-chloro-2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43782333
N-[(4-bromo-3-methylphenyl)methyl]-4-methyl-2-propoxyaniline
CID 66472407
4-[(4-bromo-3-methylphenyl)methylamino]-3-methylbenzoic acid
CID 66472608

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline (CID 66473407) is N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline is COc1c(C)ccc(NCc2ccc(Br)c(C)c2)c1C.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline?
The InChIKey is IFPGAOLSPYDPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-5-8-16(13(3)17(11)20-4)19-10-14-6-7-15(18)12(2)9-14/h5-9,19H,10H2,1-4H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline?
N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline has a molecular weight of 334.26 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline is sourced from PubChem (CID 66473407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).