1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine

C16H18BrN — CID 105005145

IUPAC1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H18BrN/c1-4-18-16(11(2)3)14-6-5-13-10-15(17)8-7-12(13)9-14/h5-10,16,18H,2,4H2,1,3H3
InChIKeyZKEDBOUBCIPXCQ-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.83
Rot. Bonds4

About 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine

1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 105005145) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID105005145
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H18BrN/c1-4-18-16(11(2)3)14-6-5-13-10-15(17)8-7-12(13)9-14/h5-10,16,18H,2,4H2,1,3H3
InChIKeyZKEDBOUBCIPXCQ-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005522
1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine
CID 115814062
1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine
CID 105005615
1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854226
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79190712
1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine
CID 115832663
1-(3-bromophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79190724
4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline
CID 105163820
1-(6-bromonaphthalen-2-yl)-N-propylbut-3-en-1-amine
CID 115814812
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103
N-[(6-bromonaphthalen-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808523
N-[1-(6-bromonaphthalen-2-yl)ethyl]acetamide
CID 68760589

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine (CID 105005145) is 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)C(NCC)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is ZKEDBOUBCIPXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-4-18-16(11(2)3)14-6-5-13-10-15(17)8-7-12(13)9-14/h5-10,16,18H,2,4H2,1,3H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine?
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 304.23 g/mol, XLogP of 4.83, 4 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-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105005145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).