2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine

C16H21FN2 — CID 163381394

IUPAC2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine
SMILESCCCCc1cc(F)c2nccc(C(C)(C)N)c2c1
InChIInChI=1S/C16H21FN2/c1-4-5-6-11-9-12-13(16(2,3)18)7-8-19-15(12)14(17)10-11/h7-10H,4-6,18H2,1-3H3
InChIKeyCGYKJVOBZWGSQM-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.91
Rot. Bonds4

About 2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine

2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine (PubChem CID 163381394) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine
PubChem CID163381394
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine
SMILESCCCCc1cc(F)c2nccc(C(C)(C)N)c2c1
InChIInChI=1S/C16H21FN2/c1-4-5-6-11-9-12-13(16(2,3)18)7-8-19-15(12)14(17)10-11/h7-10H,4-6,18H2,1-3H3
InChIKeyCGYKJVOBZWGSQM-UHFFFAOYSA-N
XLogP3.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-butylisoquinolin-1-yl)-2-methylpropan-2-amine
CID 82577214
N'-(7-butylisoquinolin-1-yl)propane-1,3-diamine
CID 82571189
4-butyl-8-(trifluoromethyl)quinoline
CID 90717731
4-tert-butyl-2-pentylpyridine
CID 129189676
5-(3,4-difluorophenyl)-2-methylpentan-2-amine
CID 116925212
1,3-difluoro-2,5-dipentylbenzene
CID 138738043
4-butyl-1-chloro-2-fluorobenzene
CID 20755408
(2,6-difluoro-4-pentylphenyl)-trimethylsilane
CID 15751979
2-fluoro-4-pentylaniline
CID 146198864
4-butyl-2-methylpyridine;hydrobromide
CID 173184435
4-(2,2-dimethylpropyl)-2-pentylpyridine
CID 129191478
1,5-dibutyl-3-tert-butylbenzene
CID 140589363

Frequently Asked Questions

What is the IUPAC name of 2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine?
The IUPAC name of 2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine (CID 163381394) is 2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine.
What is the SMILES notation for 2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine?
The canonical SMILES for 2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine is CCCCc1cc(F)c2nccc(C(C)(C)N)c2c1.
What is the InChIKey of 2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine?
The InChIKey is CGYKJVOBZWGSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-4-5-6-11-9-12-13(16(2,3)18)7-8-19-15(12)14(17)10-11/h7-10H,4-6,18H2,1-3H3.
What are the key properties of 2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine?
2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butyl-8-fluoroquinolin-4-yl)propan-2-amine is sourced from PubChem (CID 163381394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).