4-(aminomethyl)-3-bromo-N,N-diethylaniline

C11H17BrN2 — CID 107274646

IUPAC4-(aminomethyl)-3-bromo-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CN)c(Br)c1
InChIInChI=1S/C11H17BrN2/c1-3-14(4-2)10-6-5-9(8-13)11(12)7-10/h5-7H,3-4,8,13H2,1-2H3
InChIKeyVDAUUSTZHADQBS-UHFFFAOYSA-N
MW257.18 g/mol
LogP2.75
Rot. Bonds4

About 4-(aminomethyl)-3-bromo-N,N-diethylaniline

4-(aminomethyl)-3-bromo-N,N-diethylaniline (PubChem CID 107274646) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-N,N-diethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-N,N-diethylaniline
PubChem CID107274646
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name4-(aminomethyl)-3-bromo-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CN)c(Br)c1
InChIInChI=1S/C11H17BrN2/c1-3-14(4-2)10-6-5-9(8-13)11(12)7-10/h5-7H,3-4,8,13H2,1-2H3
InChIKeyVDAUUSTZHADQBS-UHFFFAOYSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 115366634
4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 107274847
2-[4-(aminomethyl)-3-bromo-N-methylanilino]ethanol
CID 107274749
4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline
CID 107274794
4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 107274766
N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline
CID 107274862
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline
CID 115366683
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 113295424
[2-bromo-4-[ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol
CID 155812949
4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline
CID 107274857
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107274760

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-N,N-diethylaniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-N,N-diethylaniline (CID 107274646) is 4-(aminomethyl)-3-bromo-N,N-diethylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-N,N-diethylaniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-N,N-diethylaniline is CCN(CC)c1ccc(CN)c(Br)c1.
What is the InChIKey of 4-(aminomethyl)-3-bromo-N,N-diethylaniline?
The InChIKey is VDAUUSTZHADQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-3-14(4-2)10-6-5-9(8-13)11(12)7-10/h5-7H,3-4,8,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-bromo-N,N-diethylaniline?
4-(aminomethyl)-3-bromo-N,N-diethylaniline has a molecular weight of 257.18 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromo-N,N-diethylaniline is sourced from PubChem (CID 107274646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).