N-benzyl-3-bromo-N-methylpropan-1-amine

C11H16BrN — CID 61288943

IUPACN-benzyl-3-bromo-N-methylpropan-1-amine
SMILESCN(CCCBr)Cc1ccccc1
InChIInChI=1S/C11H16BrN/c1-13(9-5-8-12)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKeyRXLDHWMAKFDHQK-UHFFFAOYSA-N
MW242.16 g/mol
LogP2.90
Rot. Bonds5

About N-benzyl-3-bromo-N-methylpropan-1-amine

N-benzyl-3-bromo-N-methylpropan-1-amine (PubChem CID 61288943) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is N-benzyl-3-bromo-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-bromo-N-methylpropan-1-amine
PubChem CID61288943
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC NameN-benzyl-3-bromo-N-methylpropan-1-amine
SMILESCN(CCCBr)Cc1ccccc1
InChIInChI=1S/C11H16BrN/c1-13(9-5-8-12)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKeyRXLDHWMAKFDHQK-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 52.90
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-benzyl-3-bromo-N-(3-bromopropyl)propan-1-amine
CID 23242798
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517
9-[benzyl(methyl)amino]nonane-1-thiol
CID 105344021
bis[3-[benzyl(methyl)amino]propyl] carbonate
CID 18944362
N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine
CID 100998037
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine
CID 143113319
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide
CID 71063617

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-N-methylpropan-1-amine?
The IUPAC name of N-benzyl-3-bromo-N-methylpropan-1-amine (CID 61288943) is N-benzyl-3-bromo-N-methylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-bromo-N-methylpropan-1-amine?
The canonical SMILES for N-benzyl-3-bromo-N-methylpropan-1-amine is CN(CCCBr)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-bromo-N-methylpropan-1-amine?
The InChIKey is RXLDHWMAKFDHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-13(9-5-8-12)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3.
What are the key properties of N-benzyl-3-bromo-N-methylpropan-1-amine?
N-benzyl-3-bromo-N-methylpropan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-N-methylpropan-1-amine is sourced from PubChem (CID 61288943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).