2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline

C16H19BrN2 — CID 55221393

IUPAC2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline
SMILESCCc1ccc(N(C)c2cc(Br)ccc2CN)cc1
InChIInChI=1S/C16H19BrN2/c1-3-12-4-8-15(9-5-12)19(2)16-10-14(17)7-6-13(16)11-18/h4-10H,3,11,18H2,1-2H3
InChIKeyCWOHTWXSKOCDSG-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.24
Rot. Bonds4

About 2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline

2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline (PubChem CID 55221393) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline
PubChem CID55221393
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline
SMILESCCc1ccc(N(C)c2cc(Br)ccc2CN)cc1
InChIInChI=1S/C16H19BrN2/c1-3-12-4-8-15(9-5-12)19(2)16-10-14(17)7-6-13(16)11-18/h4-10H,3,11,18H2,1-2H3
InChIKeyCWOHTWXSKOCDSG-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
CID 62306578
4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 103871280
4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline
CID 115366816
5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile
CID 114890619
[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
CID 43364972
5-bromo-2-(4-ethyl-N-methylanilino)benzoic acid
CID 114895690
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
5-bromo-2-[(4-ethyl-N-methylanilino)methyl]aniline
CID 79712794
2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline
CID 63815629
2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
CID 81299533
2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
CID 43268985
2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol
CID 60961571

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline (CID 55221393) is 2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline is CCc1ccc(N(C)c2cc(Br)ccc2CN)cc1.
What is the InChIKey of 2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline?
The InChIKey is CWOHTWXSKOCDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-12-4-8-15(9-5-12)19(2)16-10-14(17)7-6-13(16)11-18/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline?
2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline has a molecular weight of 319.25 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline is sourced from PubChem (CID 55221393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).