1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine

C16H21BrN2O — CID 114856703

IUPAC1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)c1nc2ccccc2cc1Br
InChIInChI=1S/C16H21BrN2O/c1-3-18-15(9-6-10-20-2)16-13(17)11-12-7-4-5-8-14(12)19-16/h4-5,7-8,11,15,18H,3,6,9-10H2,1-2H3
InChIKeyLRCNIMVPURXEBF-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.07
Rot. Bonds7

About 1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine

1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine (PubChem CID 114856703) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine
PubChem CID114856703
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)c1nc2ccccc2cc1Br
InChIInChI=1S/C16H21BrN2O/c1-3-18-15(9-6-10-20-2)16-13(17)11-12-7-4-5-8-14(12)19-16/h4-5,7-8,11,15,18H,3,6,9-10H2,1-2H3
InChIKeyLRCNIMVPURXEBF-UHFFFAOYSA-N
XLogP4.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine
CID 82909949
1-(3-bromoquinolin-2-yl)heptylhydrazine
CID 105257321
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 105190303
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976
1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methoxybutan-1-amine
CID 105054751
[1-(3-bromoquinolin-2-yl)-3-ethylpentyl]hydrazine
CID 105257345
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine
CID 114856913
1-(5-bromo-2-iodophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 114033016
1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol
CID 114013472
N-ethyl-4-methoxy-1-(2-methylsulfanylphenyl)butan-1-amine
CID 105054904
1-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 114886474

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine?
The IUPAC name of 1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine (CID 114856703) is 1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine?
The canonical SMILES for 1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine is CCNC(CCCOC)c1nc2ccccc2cc1Br.
What is the InChIKey of 1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine?
The InChIKey is LRCNIMVPURXEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-3-18-15(9-6-10-20-2)16-13(17)11-12-7-4-5-8-14(12)19-16/h4-5,7-8,11,15,18H,3,6,9-10H2,1-2H3.
What are the key properties of 1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine?
1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine has a molecular weight of 337.26 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine is sourced from PubChem (CID 114856703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).