N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline

C17H21BrN2O — CID 103827943

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline
SMILESCOc1ccc(Br)c(CNc2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C17H21BrN2O/c1-20(2)12-13-4-6-15(7-5-13)19-11-14-10-16(21-3)8-9-17(14)18/h4-10,19H,11-12H2,1-3H3
InChIKeyAVTVWDGCIWOBKH-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.13
Rot. Bonds6

About N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline

N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline (PubChem CID 103827943) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline
PubChem CID103827943
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline
SMILESCOc1ccc(Br)c(CNc2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C17H21BrN2O/c1-20(2)12-13-4-6-15(7-5-13)19-11-14-10-16(21-3)8-9-17(14)18/h4-10,19H,11-12H2,1-3H3
InChIKeyAVTVWDGCIWOBKH-UHFFFAOYSA-N
XLogP4.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 103827945
N-[(2-bromo-5-methoxyphenyl)methyl]-4-tert-butylaniline
CID 65324147
N-[(2-bromo-5-methoxyphenyl)methyl]-4-ethoxyaniline
CID 65323910
4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline
CID 43747201
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
CID 107583118
N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline
CID 65324051
N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline
CID 65324117
3-[(2-bromo-5-methoxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 86815879
N-[(3-bromo-4-methylphenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 115876094
N-[(2-bromo-5-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 65324170
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline (CID 103827943) is N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline is COc1ccc(Br)c(CNc2ccc(CN(C)C)cc2)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline?
The InChIKey is AVTVWDGCIWOBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-20(2)12-13-4-6-15(7-5-13)19-11-14-10-16(21-3)8-9-17(14)18/h4-10,19H,11-12H2,1-3H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline?
N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline has a molecular weight of 349.27 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 103827943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).