1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline

C14H20BrN — CID 65000659

IUPAC1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline
SMILESCCC(CBr)CN1CCCc2ccccc21
InChIInChI=1S/C14H20BrN/c1-2-12(10-15)11-16-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,12H,2,5,7,9-11H2,1H3
InChIKeyCEUOAULKIRDLBS-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.86
Rot. Bonds4

About 1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline

1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline (PubChem CID 65000659) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline
PubChem CID65000659
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline
SMILESCCC(CBr)CN1CCCc2ccccc21
InChIInChI=1S/C14H20BrN/c1-2-12(10-15)11-16-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,12H,2,5,7,9-11H2,1H3
InChIKeyCEUOAULKIRDLBS-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol
CID 143232672
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-amine
CID 81101379
(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
CID 92532372
1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine
CID 62476969
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline
CID 82214339
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine
CID 54806803
N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine
CID 24035
1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine
CID 114929496
2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropyl]guanidine
CID 3095129

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline (CID 65000659) is 1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline is CCC(CBr)CN1CCCc2ccccc21.
What is the InChIKey of 1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline?
The InChIKey is CEUOAULKIRDLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-2-12(10-15)11-16-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,12H,2,5,7,9-11H2,1H3.
What are the key properties of 1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline?
1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline has a molecular weight of 282.22 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 65000659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).