(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride

C18H24ClFN2 — CID 168891038

IUPAC(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
SMILESC[C@@H](N)CC1CCC(c2ccnc3ccc(F)cc23)CC1.Cl
InChIInChI=1S/C18H23FN2.ClH/c1-12(20)10-13-2-4-14(5-3-13)16-8-9-21-18-7-6-15(19)11-17(16)18;/h6-9,11-14H,2-5,10,20H2,1H3;1H/t12-,13?,14?;/m1./s1
InChIKeyVLXVQHKLITYRSS-RVZICEMDSA-N
MW322.86 g/mol
LogP4.81
Rot. Bonds3

About (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride

(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride (PubChem CID 168891038) has the molecular formula C18H24ClFN2 and a molecular weight of 322.86 g/mol. Its IUPAC name is (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
PubChem CID168891038
Molecular FormulaC18H24ClFN2
Molecular Weight322.86 g/mol
Exact Mass322.16
IUPAC Name(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
SMILESC[C@@H](N)CC1CCC(c2ccnc3ccc(F)cc23)CC1.Cl
InChIInChI=1S/C18H23FN2.ClH/c1-12(20)10-13-2-4-14(5-3-13)16-8-9-21-18-7-6-15(19)11-17(16)18;/h6-9,11-14H,2-5,10,20H2,1H3;1H/t12-,13?,14?;/m1./s1
InChIKeyVLXVQHKLITYRSS-RVZICEMDSA-N
XLogP4.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride?
The IUPAC name of (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride (CID 168891038) is (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride is C[C@@H](N)CC1CCC(c2ccnc3ccc(F)cc23)CC1.Cl.
What is the InChIKey of (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride?
The InChIKey is VLXVQHKLITYRSS-RVZICEMDSA-N. The full InChI is InChI=1S/C18H23FN2.ClH/c1-12(20)10-13-2-4-14(5-3-13)16-8-9-21-18-7-6-15(19)11-17(16)18;/h6-9,11-14H,2-5,10,20H2,1H3;1H/t12-,13?,14?;/m1./s1.
What are the key properties of (2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride?
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride has a molecular weight of 322.86 g/mol, XLogP of 4.81, 3 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]propan-2-amine;hydrochloride is sourced from PubChem (CID 168891038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).