N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine

C16H20BrN — CID 64996339

IUPACN-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine
SMILESCCN(CC(C)CBr)c1cccc2ccccc12
InChIInChI=1S/C16H20BrN/c1-3-18(12-13(2)11-17)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13H,3,11-12H2,1-2H3
InChIKeyIDOCLFZJVAFXPU-UHFFFAOYSA-N
MW306.25 g/mol
LogP4.70
Rot. Bonds5

About N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine

N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine (PubChem CID 64996339) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine
PubChem CID64996339
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC NameN-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine
SMILESCCN(CC(C)CBr)c1cccc2ccccc12
InChIInChI=1S/C16H20BrN/c1-3-18(12-13(2)11-17)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13H,3,11-12H2,1-2H3
InChIKeyIDOCLFZJVAFXPU-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 54.70
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

(2S)-1-[ethyl(naphthalen-1-yl)amino]propan-2-ol
CID 103934919
1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
CID 43649715
1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine
CID 43095261
N,N,N'-triethyl-N'-naphthalen-1-ylethane-1,2-diamine
CID 3028375
1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
CID 63467287
1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol
CID 43187919
3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 62271078
N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine
CID 60851673
N'-ethyl-N-(2-methylpropyl)-N'-naphthalen-1-ylpropane-1,3-diamine
CID 63467286
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593
N-(bromomethyl)-N-methylnaphthalen-1-amine
CID 115261813
N-(2-azidoethyl)-N-ethylnaphthalen-1-amine
CID 63462242

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine?
The IUPAC name of N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine (CID 64996339) is N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine is CCN(CC(C)CBr)c1cccc2ccccc12.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine?
The InChIKey is IDOCLFZJVAFXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN/c1-3-18(12-13(2)11-17)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine?
N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine has a molecular weight of 306.25 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine is sourced from PubChem (CID 64996339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).