4-(aminomethyl)-3-bromoaniline;hydrochloride

C7H10BrClN2 — CID 122199413

IUPAC4-(aminomethyl)-3-bromoaniline;hydrochloride
SMILESCl.NCc1ccc(N)cc1Br
InChIInChI=1S/C7H9BrN2.ClH/c8-7-3-6(10)2-1-5(7)4-9;/h1-3H,4,9-10H2;1H
InChIKeyVISXXLNNINUMAG-UHFFFAOYSA-N
MW237.53 g/mol
LogP1.91
Rot. Bonds1

About 4-(aminomethyl)-3-bromoaniline;hydrochloride

4-(aminomethyl)-3-bromoaniline;hydrochloride (PubChem CID 122199413) has the molecular formula C7H10BrClN2 and a molecular weight of 237.53 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromoaniline;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromoaniline;hydrochloride
PubChem CID122199413
Molecular FormulaC7H10BrClN2
Molecular Weight237.53 g/mol
Exact Mass235.97
IUPAC Name4-(aminomethyl)-3-bromoaniline;hydrochloride
SMILESCl.NCc1ccc(N)cc1Br
InChIInChI=1S/C7H9BrN2.ClH/c8-7-3-6(10)2-1-5(7)4-9;/h1-3H,4,9-10H2;1H
InChIKeyVISXXLNNINUMAG-UHFFFAOYSA-N
XLogP1.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.53
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride
CID 162330321
3-bromo-4-butylaniline
CID 126973176
4-(aminomethyl)-3-iodoaniline
CID 91883183
3-bromo-4-(diethylaminomethyl)aniline
CID 60795845
4-(aminomethyl)-3-bromobenzonitrile
CID 82673286
bis(4-amino-2-(aminomethyl)phenol);dihydrochloride
CID 91620372
4-amino-2-(aminomethyl)phenol;dihydrochloride
CID 5463812
ethyl 2-(4-amino-2-bromophenyl)acetate
CID 170997064
4-(aminomethyl)-3-bromo-N,N-diethylaniline
CID 107274646
3-bromo-4-[(4-chlorophenoxy)methyl]aniline
CID 54918278
(2-bromo-4-propan-2-ylsulfanylphenyl)methanamine
CID 107280531
3-bromo-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 60791193

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromoaniline;hydrochloride?
The IUPAC name of 4-(aminomethyl)-3-bromoaniline;hydrochloride (CID 122199413) is 4-(aminomethyl)-3-bromoaniline;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-3-bromoaniline;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-3-bromoaniline;hydrochloride is Cl.NCc1ccc(N)cc1Br.
What is the InChIKey of 4-(aminomethyl)-3-bromoaniline;hydrochloride?
The InChIKey is VISXXLNNINUMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2.ClH/c8-7-3-6(10)2-1-5(7)4-9;/h1-3H,4,9-10H2;1H.
What are the key properties of 4-(aminomethyl)-3-bromoaniline;hydrochloride?
4-(aminomethyl)-3-bromoaniline;hydrochloride has a molecular weight of 237.53 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromoaniline;hydrochloride is sourced from PubChem (CID 122199413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).