[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride

C8H12BrClN2 — CID 162330321

IUPAC[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(CN)c(Br)c1
InChIInChI=1S/C8H11BrN2.ClH/c9-8-3-6(4-10)1-2-7(8)5-11;/h1-3H,4-5,10-11H2;1H
InChIKeyDTWJWPFZDAAALO-UHFFFAOYSA-N
MW251.55 g/mol
LogP1.79
Rot. Bonds2

About [4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride

[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride (PubChem CID 162330321) has the molecular formula C8H12BrClN2 and a molecular weight of 251.55 g/mol. Its IUPAC name is [4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride
PubChem CID162330321
Molecular FormulaC8H12BrClN2
Molecular Weight251.55 g/mol
Exact Mass249.99
IUPAC Name[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(CN)c(Br)c1
InChIInChI=1S/C8H11BrN2.ClH/c9-8-3-6(4-10)1-2-7(8)5-11;/h1-3H,4-5,10-11H2;1H
InChIKeyDTWJWPFZDAAALO-UHFFFAOYSA-N
XLogP1.79
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.55
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-3-bromoaniline;hydrochloride
CID 122199413
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
[3-bromo-4-(2-methylpropoxymethyl)phenyl]methanamine
CID 102772379
[3-bromo-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
CID 102773013
[3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine
CID 102773521
[3-bromo-4-(pentoxymethyl)phenyl]methanamine
CID 102772646
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine
CID 102769820
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 102771838
4-(aminomethyl)-2-bromo-N,N-dimethylaniline
CID 82795005
4-(aminomethyl)-3-bromobenzonitrile
CID 82673286
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
(3-bromo-4-propan-2-ylphenyl)methanamine
CID 83840012

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride?
The IUPAC name of [4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride (CID 162330321) is [4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride is Cl.NCc1ccc(CN)c(Br)c1.
What is the InChIKey of [4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride?
The InChIKey is DTWJWPFZDAAALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2.ClH/c9-8-3-6(4-10)1-2-7(8)5-11;/h1-3H,4-5,10-11H2;1H.
What are the key properties of [4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride?
[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride has a molecular weight of 251.55 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride is sourced from PubChem (CID 162330321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).