4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline

C16H17Br2N — CID 107572230

IUPAC4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline
SMILESCc1cc(NC(C)c2ccc(Br)cc2)cc(C)c1Br
InChIInChI=1S/C16H17Br2N/c1-10-8-15(9-11(2)16(10)18)19-12(3)13-4-6-14(17)7-5-13/h4-9,12,19H,1-3H3
InChIKeyMBMDPRIGUJRQJL-UHFFFAOYSA-N
MW383.13 g/mol
LogP6.00
Rot. Bonds3

About 4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline

4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline (PubChem CID 107572230) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline
PubChem CID107572230
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline
SMILESCc1cc(NC(C)c2ccc(Br)cc2)cc(C)c1Br
InChIInChI=1S/C16H17Br2N/c1-10-8-15(9-11(2)16(10)18)19-12(3)13-4-6-14(17)7-5-13/h4-9,12,19H,1-3H3
InChIKeyMBMDPRIGUJRQJL-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline
CID 107571835
4-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3,5-dimethylaniline
CID 107571978
4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 107572080
3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
CID 82858148
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030
5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide
CID 43105910
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 107582345
3-[1-(4-bromophenyl)ethylamino]phenol
CID 43206955
3-N-[1-(4-bromophenyl)ethyl]benzene-1,3-diamine
CID 54965501
N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine
CID 43680266
4-bromo-3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 107572088
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
CID 43080628

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline?
The IUPAC name of 4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline (CID 107572230) is 4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline?
The canonical SMILES for 4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline is Cc1cc(NC(C)c2ccc(Br)cc2)cc(C)c1Br.
What is the InChIKey of 4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline?
The InChIKey is MBMDPRIGUJRQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-10-8-15(9-11(2)16(10)18)19-12(3)13-4-6-14(17)7-5-13/h4-9,12,19H,1-3H3.
What are the key properties of 4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline?
4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline has a molecular weight of 383.13 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline is sourced from PubChem (CID 107572230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).