N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline

C15H15BrClN — CID 63540991

IUPACN-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline
SMILESCN(Cc1ccc(Br)cc1)c1ccc(CCl)cc1
InChIInChI=1S/C15H15BrClN/c1-18(11-13-2-6-14(16)7-3-13)15-8-4-12(10-17)5-9-15/h2-9H,10-11H2,1H3
InChIKeyQDTMZAUIMBZDSD-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.82
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline

N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline (PubChem CID 63540991) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline
PubChem CID63540991
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC NameN-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline
SMILESCN(Cc1ccc(Br)cc1)c1ccc(CCl)cc1
InChIInChI=1S/C15H15BrClN/c1-18(11-13-2-6-14(16)7-3-13)15-8-4-12(10-17)5-9-15/h2-9H,10-11H2,1H3
InChIKeyQDTMZAUIMBZDSD-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 63786890
4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 61415399
4-(chloromethyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528420
4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 28946499
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 115366742
4-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63013979
4-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112661837
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
CID 43346454
4-N-[(4-bromophenyl)methyl]-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83004684
6-[(4-bromophenyl)methyl-methylamino]-1H-indole-2,3-dione
CID 61415351
4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
3-[(4-bromo-N-methylanilino)methyl]benzoic acid
CID 115221790

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline (CID 63540991) is N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline is CN(Cc1ccc(Br)cc1)c1ccc(CCl)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline?
The InChIKey is QDTMZAUIMBZDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-18(11-13-2-6-14(16)7-3-13)15-8-4-12(10-17)5-9-15/h2-9H,10-11H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline?
N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline has a molecular weight of 324.65 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline is sourced from PubChem (CID 63540991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).