1-(4-bromophenyl)-N-methylmethanamine;hydrochloride

C8H11BrClN — CID 17290661

IUPAC1-(4-bromophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(Br)cc1.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-10-6-7-2-4-8(9)5-3-7;/h2-5,10H,6H2,1H3;1H
InChIKeyFWIXCMNMTULAMD-UHFFFAOYSA-N
MW236.54 g/mol
LogP2.59
Rot. Bonds2

About 1-(4-bromophenyl)-N-methylmethanamine;hydrochloride

1-(4-bromophenyl)-N-methylmethanamine;hydrochloride (PubChem CID 17290661) has the molecular formula C8H11BrClN and a molecular weight of 236.54 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methylmethanamine;hydrochloride
PubChem CID17290661
Molecular FormulaC8H11BrClN
Molecular Weight236.54 g/mol
Exact Mass234.98
IUPAC Name1-(4-bromophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(Br)cc1.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-10-6-7-2-4-8(9)5-3-7;/h2-5,10H,6H2,1H3;1H
InChIKeyFWIXCMNMTULAMD-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

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Related Compounds

N-Methylbenzylamine
CID 7669
Bretylium
CID 2431
4-Bromo-alpha-methylbenzeneethanamine
CID 205668
4-Bromobenzylamine
CID 77571
1-(4-Bromophenyl)ethylamine
CID 91175
Benzenemethanamine, 3-bromo-
CID 457587
2-Bromobenzylamine
CID 334072
2-Bromo-N-methylbenzylamine
CID 522360
p-Bromophenethylamine
CID 533915
(4-Bromo-2-fluorophenyl)methanamine
CID 3770848
Methylbenzylamine hydrochloride
CID 9855548
3-Bromobenzylamine hydrochloride
CID 2724980

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-N-methylmethanamine;hydrochloride (CID 17290661) is 1-(4-bromophenyl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-N-methylmethanamine;hydrochloride is CNCc1ccc(Br)cc1.Cl.
What is the InChIKey of 1-(4-bromophenyl)-N-methylmethanamine;hydrochloride?
The InChIKey is FWIXCMNMTULAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.ClH/c1-10-6-7-2-4-8(9)5-3-7;/h2-5,10H,6H2,1H3;1H.
What are the key properties of 1-(4-bromophenyl)-N-methylmethanamine;hydrochloride?
1-(4-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-(4-bromophenyl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 17290661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).