2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine

C11H15BrClN — CID 115263726

IUPAC2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCCl)c1ccccc1Br
InChIInChI=1S/C11H15BrClN/c1-11(2,7-14-8-13)9-5-3-4-6-10(9)12/h3-6,14H,7-8H2,1-2H3
InChIKeyFTADTQKDHPDWGC-UHFFFAOYSA-N
MW276.61 g/mol
LogP3.51
Rot. Bonds4

About 2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine

2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine (PubChem CID 115263726) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
PubChem CID115263726
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCCl)c1ccccc1Br
InChIInChI=1S/C11H15BrClN/c1-11(2,7-14-8-13)9-5-3-4-6-10(9)12/h3-6,14H,7-8H2,1-2H3
InChIKeyFTADTQKDHPDWGC-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 53.51
H-Bond Donors ≤ 51
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

1-N-[2-(2-bromophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222592
1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257165
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122528
2-(5-bromo-2-methylphenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263701
2-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]-3-methylbutanenitrile
CID 115254745
2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 115210084
N-(bromomethyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115262622
1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea
CID 115169643
N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 115158174
[[2-(2-bromophenyl)-2-methylpropyl]amino] acetate
CID 174811671
2-(1-benzofuran-3-yl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263718
2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152840

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine (CID 115263726) is 2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine is CC(C)(CNCCl)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine?
The InChIKey is FTADTQKDHPDWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-11(2,7-14-8-13)9-5-3-4-6-10(9)12/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine?
2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine has a molecular weight of 276.61 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115263726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).