(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine

C19H25FN2 — CID 168891034

IUPAC(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
SMILESCC[C@@H](N)CC1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H25FN2/c1-2-16(21)11-13-3-5-14(6-4-13)17-9-10-22-19-8-7-15(20)12-18(17)19/h7-10,12-14,16H,2-6,11,21H2,1H3/t13?,14?,16-/m1/s1
InChIKeyOUHZCTGKIPZCHS-ZBCRRDGASA-N
MW300.42 g/mol
LogP4.78
Rot. Bonds4

About (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine

(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine (PubChem CID 168891034) has the molecular formula C19H25FN2 and a molecular weight of 300.42 g/mol. Its IUPAC name is (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
PubChem CID168891034
Molecular FormulaC19H25FN2
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC Name(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
SMILESCC[C@@H](N)CC1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H25FN2/c1-2-16(21)11-13-3-5-14(6-4-13)17-9-10-22-19-8-7-15(20)12-18(17)19/h7-10,12-14,16H,2-6,11,21H2,1H3/t13?,14?,16-/m1/s1
InChIKeyOUHZCTGKIPZCHS-ZBCRRDGASA-N
XLogP4.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Quinoline
CID 7047
6-Methylquinoline
CID 7059
Indalpine
CID 44668
4-Methylquinoline
CID 10285
Festuclavine
CID 332915
8-Methylquinoline
CID 11910
5-Aminoisoquinoline
CID 70766
3-Aminoquinoline
CID 11375
3-Methylquinoline
CID 11926
5-Aminoquinoline
CID 11911
4-(4-Dimethylaminostyryl)quinoline
CID 668053
6-Aminoquinoline
CID 11373

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine?
The IUPAC name of (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine (CID 168891034) is (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine.
What is the SMILES notation for (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine?
The canonical SMILES for (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine is CC[C@@H](N)CC1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine?
The InChIKey is OUHZCTGKIPZCHS-ZBCRRDGASA-N. The full InChI is InChI=1S/C19H25FN2/c1-2-16(21)11-13-3-5-14(6-4-13)17-9-10-22-19-8-7-15(20)12-18(17)19/h7-10,12-14,16H,2-6,11,21H2,1H3/t13?,14?,16-/m1/s1.
What are the key properties of (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine?
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine has a molecular weight of 300.42 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine is sourced from PubChem (CID 168891034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).