N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline

C16H19BrN2 — CID 43747278

IUPACN-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccc(NCc2ccccc2Br)cc1
InChIInChI=1S/C16H19BrN2/c1-19(2)12-13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17/h3-10,18H,11-12H2,1-2H3
InChIKeyWZEKKMVUHBAKBD-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.12
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline

N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline (PubChem CID 43747278) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline
PubChem CID43747278
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC NameN-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccc(NCc2ccccc2Br)cc1
InChIInChI=1S/C16H19BrN2/c1-19(2)12-13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17/h3-10,18H,11-12H2,1-2H3
InChIKeyWZEKKMVUHBAKBD-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline
CID 62392123
2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720767
N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 103827943
2-[4-[(2-bromophenyl)methylamino]phenyl]ethanol
CID 61236412
4-[(2-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43425513
N-[(3-bromo-4-methylphenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 115876094
N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 115743043
4-bromo-N-[(2-bromophenyl)methyl]-3-methylaniline
CID 28537521
4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 28679649
methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
CID 43730286
N-[(2-bromophenyl)methyl]-4-nitroaniline
CID 43425349
1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726538

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline (CID 43747278) is N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline is CN(C)Cc1ccc(NCc2ccccc2Br)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline?
The InChIKey is WZEKKMVUHBAKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-19(2)12-13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17/h3-10,18H,11-12H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline?
N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline has a molecular weight of 319.25 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 43747278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).