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

C14H14BrN — CID 105005615

IUPAC1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H14BrN/c1-9(2)14(16)12-4-3-11-8-13(15)6-5-10(11)7-12/h3-8,14H,1,16H2,2H3
InChIKeyRRGJSVGMRGXBGW-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.18
Rot. Bonds2

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

1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine (PubChem CID 105005615) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine
PubChem CID105005615
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H14BrN/c1-9(2)14(16)12-4-3-11-8-13(15)6-5-10(11)7-12/h3-8,14H,1,16H2,2H3
InChIKeyRRGJSVGMRGXBGW-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.18
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-ethyl-2-methylprop-2-en-1-amine
CID 105005145
(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine
CID 115353742
2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene
CID 115354335
2,6-dibromonaphthalene
CID 640591
1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
CID 105013461
N-[1-(6-bromonaphthalen-2-yl)ethyl]acetamide
CID 68760589
methyl 2-(6-bromonaphthalen-2-yl)propanoate
CID 154165948
(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
CID 115353747
2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene
CID 115354314
(6-bromonaphthalen-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 115855045
1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine
CID 105055131
(6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105023264

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine (CID 105005615) is 1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine is C=C(C)C(N)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine?
The InChIKey is RRGJSVGMRGXBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-9(2)14(16)12-4-3-11-8-13(15)6-5-10(11)7-12/h3-8,14H,1,16H2,2H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine?
1-(6-bromonaphthalen-2-yl)-2-methylprop-2-en-1-amine has a molecular weight of 276.18 g/mol, XLogP of 4.18, 2 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)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105005615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).