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

C16H19BrN2 — CID 103871280

IUPAC4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline
SMILESCCc1ccc(N(C)c2ccc(CN)cc2Br)cc1
InChIInChI=1S/C16H19BrN2/c1-3-12-4-7-14(8-5-12)19(2)16-9-6-13(11-18)10-15(16)17/h4-10H,3,11,18H2,1-2H3
InChIKeyWOTJAGTXDVDJTG-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.24
Rot. Bonds4

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

4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline (PubChem CID 103871280) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline
PubChem CID103871280
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline
SMILESCCc1ccc(N(C)c2ccc(CN)cc2Br)cc1
InChIInChI=1S/C16H19BrN2/c1-3-12-4-7-14(8-5-12)19(2)16-9-6-13(11-18)10-15(16)17/h4-10H,3,11,18H2,1-2H3
InChIKeyWOTJAGTXDVDJTG-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

4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
4-(aminomethyl)-2-bromo-N,N-dimethylaniline
CID 82795005
2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 55221393
4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline
CID 82795159
2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
CID 62306578
4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
CID 82793395
1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62001859
2-[4-(aminomethyl)-2-bromo-N-methylanilino]ethanol
CID 82794580
5-bromo-2-(4-ethyl-N-methylanilino)benzonitrile
CID 114890619
2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline
CID 107082514
[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
CID 60930151

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline (CID 103871280) is 4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline is CCc1ccc(N(C)c2ccc(CN)cc2Br)cc1.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline?
The InChIKey is WOTJAGTXDVDJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-12-4-7-14(8-5-12)19(2)16-9-6-13(11-18)10-15(16)17/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline?
4-(aminomethyl)-2-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 4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline is sourced from PubChem (CID 103871280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).