1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine

C16H18BrN — CID 115814062

IUPAC1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine
SMILESC=CCC(NCC)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H18BrN/c1-3-5-16(18-4-2)14-7-6-13-11-15(17)9-8-12(13)10-14/h3,6-11,16,18H,1,4-5H2,2H3
InChIKeyMEMFHLFTFMRRCZ-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.83
Rot. Bonds5

About 1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine

1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine (PubChem CID 115814062) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine
PubChem CID115814062
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine
SMILESC=CCC(NCC)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H18BrN/c1-3-5-16(18-4-2)14-7-6-13-11-15(17)9-8-12(13)10-14/h3,6-11,16,18H,1,4-5H2,2H3
InChIKeyMEMFHLFTFMRRCZ-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(6-bromonaphthalen-2-yl)-N-propylbut-3-en-1-amine
CID 115814812
1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine
CID 115832663
1-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 116660748
N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 61380125
N-ethyl-1-quinolin-6-ylbut-3-en-1-amine
CID 55181079
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005145
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103
1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854226
N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine
CID 116660811
N-ethyl-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine
CID 116660776
1-(4-bromophenyl)-N-butylbut-3-en-1-amine
CID 177091582
N-ethyl-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 115815205

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine (CID 115814062) is 1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine is C=CCC(NCC)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine?
The InChIKey is MEMFHLFTFMRRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-3-5-16(18-4-2)14-7-6-13-11-15(17)9-8-12(13)10-14/h3,6-11,16,18H,1,4-5H2,2H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine?
1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine has a molecular weight of 304.23 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine is sourced from PubChem (CID 115814062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).