N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine

C15H18BrN — CID 171127319

IUPACN-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(Br)c2ccccc12
InChIInChI=1S/C15H18BrN/c1-3-17(4-2)11-12-9-10-15(16)14-8-6-5-7-13(12)14/h5-10H,3-4,11H2,1-2H3
InChIKeyJDLNYQDPZUKGTN-UHFFFAOYSA-N
MW292.22 g/mol
LogP4.44
Rot. Bonds4

About N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine

N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine (PubChem CID 171127319) has the molecular formula C15H18BrN and a molecular weight of 292.22 g/mol. Its IUPAC name is N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine
PubChem CID171127319
Molecular FormulaC15H18BrN
Molecular Weight292.22 g/mol
Exact Mass291.06
IUPAC NameN-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(Br)c2ccccc12
InChIInChI=1S/C15H18BrN/c1-3-17(4-2)11-12-9-10-15(16)14-8-6-5-7-13(12)14/h5-10H,3-4,11H2,1-2H3
InChIKeyJDLNYQDPZUKGTN-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene
CID 59060546
1,4-dibromonaphthalene
CID 162208061
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CID 55027071
3-bromo-4-(diethylaminomethyl)aniline
CID 60795845
N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine
CID 19893359
N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 78942264
2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine
CID 80680315
2-bromo-3-(4-bromonaphthalen-1-yl)propanamide
CID 104513098
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
4-bromonaphthalene-1-carbaldehyde;1,4-dibromonaphthalene;ethane
CID 158185704
cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate)
CID 102048772

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine (CID 171127319) is N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine is CCN(CC)Cc1ccc(Br)c2ccccc12.
What is the InChIKey of N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine?
The InChIKey is JDLNYQDPZUKGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN/c1-3-17(4-2)11-12-9-10-15(16)14-8-6-5-7-13(12)14/h5-10H,3-4,11H2,1-2H3.
What are the key properties of N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine?
N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine has a molecular weight of 292.22 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine is sourced from PubChem (CID 171127319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).