N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine

C13H20BrN — CID 115262015

IUPACN-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1ccc(CN(C)CBr)cc1
InChIInChI=1S/C13H20BrN/c1-11(2)8-12-4-6-13(7-5-12)9-15(3)10-14/h4-7,11H,8-10H2,1-3H3
InChIKeyAQPBHUDKYADEOH-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.67
Rot. Bonds5

About N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine

N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine (PubChem CID 115262015) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
PubChem CID115262015
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC NameN-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1ccc(CN(C)CBr)cc1
InChIInChI=1S/C13H20BrN/c1-11(2)8-12-4-6-13(7-5-12)9-15(3)10-14/h4-7,11H,8-10H2,1-3H3
InChIKeyAQPBHUDKYADEOH-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.67
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

2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]ethanol
CID 110921350
N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 115261999
N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 115261992
N-(bromomethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115262054
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440
1-N-methyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]butane-1,3-diamine
CID 115199389
1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
CID 115222338
[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
CID 58820967
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
ethane;4-(2-methylpropyl)benzenethiol
CID 143751683
3-methyl-2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]butan-1-ol
CID 115137587
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid
CID 115141371

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine (CID 115262015) is N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1ccc(CN(C)CBr)cc1.
What is the InChIKey of N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is AQPBHUDKYADEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-11(2)8-12-4-6-13(7-5-12)9-15(3)10-14/h4-7,11H,8-10H2,1-3H3.
What are the key properties of N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine has a molecular weight of 270.21 g/mol, XLogP of 3.67, 5 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-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 115262015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).