N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline

C16H18BrN — CID 43105030

IUPACN-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C16H18BrN/c1-11-4-9-16(12(2)10-11)18-13(3)14-5-7-15(17)8-6-14/h4-10,13,18H,1-3H3
InChIKeyUIHWDPIOLIRGMN-UHFFFAOYSA-N
MW304.23 g/mol
LogP5.24
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline

N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline (PubChem CID 43105030) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
PubChem CID43105030
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
SMILESCc1ccc(NC(C)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C16H18BrN/c1-11-4-9-16(12(2)10-11)18-13(3)14-5-7-15(17)8-6-14/h4-10,13,18H,1-3H3
InChIKeyUIHWDPIOLIRGMN-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.23
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
2-[1-(4-bromophenyl)ethylamino]-5-methylbenzonitrile
CID 107927205
2,4-dimethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43189781
4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
CID 43192054
N-[1-(4-bromophenyl)ethyl]-2-methyl-4-nitroaniline
CID 43719915
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
2-[1-(4-bromophenyl)ethylamino]-4-methylbenzoic acid
CID 63513424
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline
CID 113437433
4-[1-(2-bromo-4-methylanilino)ethyl]phenol
CID 43191244
4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline
CID 107572230
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236
2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43104045

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline (CID 43105030) is N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline is Cc1ccc(NC(C)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline?
The InChIKey is UIHWDPIOLIRGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-11-4-9-16(12(2)10-11)18-13(3)14-5-7-15(17)8-6-14/h4-10,13,18H,1-3H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline?
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline has a molecular weight of 304.23 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline is sourced from PubChem (CID 43105030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).