N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine

C10H14BrN — CID 115261992

IUPACN-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)CBr)cc1
InChIInChI=1S/C10H14BrN/c1-9-3-5-10(6-4-9)7-12(2)8-11/h3-6H,7-8H2,1-2H3
InChIKeyBUCIAKHVLCAKID-UHFFFAOYSA-N
MW228.13 g/mol
LogP2.78
Rot. Bonds3

About N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine

N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 115261992) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID115261992
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC NameN-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)CBr)cc1
InChIInChI=1S/C10H14BrN/c1-9-3-5-10(6-4-9)7-12(2)8-11/h3-6H,7-8H2,1-2H3
InChIKeyBUCIAKHVLCAKID-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 115261999
[methyl-[(4-methylphenyl)methyl]amino]methanethiol
CID 115228025
N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 115262015
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine
CID 65011782
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 65009839
N-(bromomethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115262054
1-methyl-1-[(4-methylphenyl)methyl]hydrazine
CID 82280119
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 55027528
2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine (CID 115261992) is N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine is Cc1ccc(CN(C)CBr)cc1.
What is the InChIKey of N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is BUCIAKHVLCAKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-9-3-5-10(6-4-9)7-12(2)8-11/h3-6H,7-8H2,1-2H3.
What are the key properties of N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine?
N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 228.13 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 115261992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).