[4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine

C22H24N2 — CID 57455208

IUPAC[4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine
SMILESNCC1CCC(c2cc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C22H24N2/c23-15-16-10-12-17(13-11-16)20-14-19-8-4-5-9-21(19)24-22(20)18-6-2-1-3-7-18/h1-9,14,16-17H,10-13,15,23H2
InChIKeyZUDVUWLAFDZUKT-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.13
Rot. Bonds3

About [4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine

[4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine (PubChem CID 57455208) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is [4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine
PubChem CID57455208
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name[4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine
SMILESNCC1CCC(c2cc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C22H24N2/c23-15-16-10-12-17(13-11-16)20-14-19-8-4-5-9-21(19)24-22(20)18-6-2-1-3-7-18/h1-9,14,16-17H,10-13,15,23H2
InChIKeyZUDVUWLAFDZUKT-UHFFFAOYSA-N
XLogP5.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine (CID 57455208) is [4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine is NCC1CCC(c2cc3ccccc3nc2-c2ccccc2)CC1.
What is the InChIKey of [4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine?
The InChIKey is ZUDVUWLAFDZUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c23-15-16-10-12-17(13-11-16)20-14-19-8-4-5-9-21(19)24-22(20)18-6-2-1-3-7-18/h1-9,14,16-17H,10-13,15,23H2.
What are the key properties of [4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine?
[4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine has a molecular weight of 316.45 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine is sourced from PubChem (CID 57455208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).