N-benzyl-N-(2-bromoethyl)propan-2-amine

C12H18BrN — CID 61289329

IUPACN-benzyl-N-(2-bromoethyl)propan-2-amine
SMILESCC(C)N(CCBr)Cc1ccccc1
InChIInChI=1S/C12H18BrN/c1-11(2)14(9-8-13)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyGVINEONVBQIVFR-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.29
Rot. Bonds5

About N-benzyl-N-(2-bromoethyl)propan-2-amine

N-benzyl-N-(2-bromoethyl)propan-2-amine (PubChem CID 61289329) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is N-benzyl-N-(2-bromoethyl)propan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-(2-bromoethyl)propan-2-amine
PubChem CID61289329
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC NameN-benzyl-N-(2-bromoethyl)propan-2-amine
SMILESCC(C)N(CCBr)Cc1ccccc1
InChIInChI=1S/C12H18BrN/c1-11(2)14(9-8-13)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyGVINEONVBQIVFR-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 80671287
N-benzyl-N-(2-bromoethyl)pentan-3-amine
CID 80680386
N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849259
N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine
CID 130537232
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
N-(2-bromoethyl)-N-[(3,4-dichlorophenyl)methyl]propan-2-amine
CID 80670954
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
N-benzyl-2-bromo-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80680300
N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
CID 79479672
N-(2-bromoethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 80671619
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
3-bromo-N-[(3-chlorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 80680513

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromoethyl)propan-2-amine?
The IUPAC name of N-benzyl-N-(2-bromoethyl)propan-2-amine (CID 61289329) is N-benzyl-N-(2-bromoethyl)propan-2-amine.
What is the SMILES notation for N-benzyl-N-(2-bromoethyl)propan-2-amine?
The canonical SMILES for N-benzyl-N-(2-bromoethyl)propan-2-amine is CC(C)N(CCBr)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-bromoethyl)propan-2-amine?
The InChIKey is GVINEONVBQIVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-11(2)14(9-8-13)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3.
What are the key properties of N-benzyl-N-(2-bromoethyl)propan-2-amine?
N-benzyl-N-(2-bromoethyl)propan-2-amine has a molecular weight of 256.19 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bromoethyl)propan-2-amine is sourced from PubChem (CID 61289329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).