1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine

C17H22BrN — CID 115832663

IUPAC1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H22BrN/c1-3-5-6-17(19-4-2)15-8-7-14-12-16(18)10-9-13(14)11-15/h7-12,17,19H,3-6H2,1-2H3
InChIKeyBTAPCXJLEAWULL-UHFFFAOYSA-N
MW320.27 g/mol
LogP5.44
Rot. Bonds6

About 1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine

1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine (PubChem CID 115832663) has the molecular formula C17H22BrN and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine
PubChem CID115832663
Molecular FormulaC17H22BrN
Molecular Weight320.27 g/mol
Exact Mass319.09
IUPAC Name1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine
SMILESCCCCC(NCC)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H22BrN/c1-3-5-6-17(19-4-2)15-8-7-14-12-16(18)10-9-13(14)11-15/h7-12,17,19H,3-6H2,1-2H3
InChIKeyBTAPCXJLEAWULL-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.27
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine
CID 115833804
1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine
CID 115814062
N-ethyl-1-naphthalen-2-ylbutan-1-amine
CID 62716918
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-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine
CID 63192640
1-(3-bromo-4-chlorophenyl)-N-ethyloctan-1-amine
CID 115567420
1-(6-bromonaphthalen-2-yl)-N-propylbut-3-en-1-amine
CID 115814812
1-(3-bromo-4-fluorophenyl)-N-ethylheptan-1-amine
CID 82810387
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylheptan-1-amine
CID 115833562
N-ethyl-1-(4-iodophenyl)pentan-1-amine
CID 115832720
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine (CID 115832663) is 1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine is CCCCC(NCC)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine?
The InChIKey is BTAPCXJLEAWULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN/c1-3-5-6-17(19-4-2)15-8-7-14-12-16(18)10-9-13(14)11-15/h7-12,17,19H,3-6H2,1-2H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine?
1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine has a molecular weight of 320.27 g/mol, XLogP of 5.44, 6 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-ethylpentan-1-amine is sourced from PubChem (CID 115832663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).