1-(3-bromophenyl)-N-methylmethanamine;hydrochloride

C8H11BrClN — CID 17290687

IUPAC1-(3-bromophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cccc(Br)c1.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-10-6-7-3-2-4-8(9)5-7;/h2-5,10H,6H2,1H3;1H
InChIKeyRTANEIHCHYBEKK-UHFFFAOYSA-N
MW236.54 g/mol
LogP2.59
Rot. Bonds2

About 1-(3-bromophenyl)-N-methylmethanamine;hydrochloride

1-(3-bromophenyl)-N-methylmethanamine;hydrochloride (PubChem CID 17290687) has the molecular formula C8H11BrClN and a molecular weight of 236.54 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methylmethanamine;hydrochloride
PubChem CID17290687
Molecular FormulaC8H11BrClN
Molecular Weight236.54 g/mol
Exact Mass234.98
IUPAC Name1-(3-bromophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cccc(Br)c1.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-10-6-7-3-2-4-8(9)5-7;/h2-5,10H,6H2,1H3;1H
InChIKeyRTANEIHCHYBEKK-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.54
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromophenyl)-N-methylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Methylbenzylamine
CID 7669
Bretylium
CID 2431
4-Bromobenzylamine
CID 77571
Benzenemethanamine, 3-bromo-
CID 457587
2-Bromobenzylamine
CID 334072
2-Bromo-N-methylbenzylamine
CID 522360
3-Bromophenethylamine
CID 7021736
Methylbenzylamine hydrochloride
CID 9855548
3-Bromobenzylamine hydrochloride
CID 2724980
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
3-Bromoamphetamine
CID 15061891
4-Bromobenzylamine hydrochloride
CID 2724096

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(3-bromophenyl)-N-methylmethanamine;hydrochloride (CID 17290687) is 1-(3-bromophenyl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(3-bromophenyl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(3-bromophenyl)-N-methylmethanamine;hydrochloride is CNCc1cccc(Br)c1.Cl.
What is the InChIKey of 1-(3-bromophenyl)-N-methylmethanamine;hydrochloride?
The InChIKey is RTANEIHCHYBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.ClH/c1-10-6-7-3-2-4-8(9)5-7;/h2-5,10H,6H2,1H3;1H.
What are the key properties of 1-(3-bromophenyl)-N-methylmethanamine;hydrochloride?
1-(3-bromophenyl)-N-methylmethanamine;hydrochloride has a molecular weight of 236.54 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 17290687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).