N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine

C16H19ClN2 — CID 65028937

IUPACN-(2-chlorocyclohexyl)-2-methylquinolin-4-amine
SMILESCc1cc(NC2CCCCC2Cl)c2ccccc2n1
InChIInChI=1S/C16H19ClN2/c1-11-10-16(12-6-2-4-8-14(12)18-11)19-15-9-5-3-7-13(15)17/h2,4,6,8,10,13,15H,3,5,7,9H2,1H3,(H,18,19)
InChIKeyQRCVYKSWKGIOIV-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.51
Rot. Bonds2

About N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine

N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine (PubChem CID 65028937) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-2-methylquinolin-4-amine
PubChem CID65028937
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN-(2-chlorocyclohexyl)-2-methylquinolin-4-amine
SMILESCc1cc(NC2CCCCC2Cl)c2ccccc2n1
InChIInChI=1S/C16H19ClN2/c1-11-10-16(12-6-2-4-8-14(12)18-11)19-15-9-5-3-7-13(15)17/h2,4,6,8,10,13,15H,3,5,7,9H2,1H3,(H,18,19)
InChIKeyQRCVYKSWKGIOIV-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
CID 93453736
N-(2-chlorocyclohexyl)quinolin-4-amine
CID 65028987
N-(3-ethyl-2-methylcyclopentyl)-2-methylquinolin-4-amine
CID 64923562
2-methyl-N-(3-methylcyclohexyl)quinolin-4-amine
CID 43428308
N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine
CID 61223865
N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine
CID 166183861
2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376301
2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-4-amine
CID 79363261
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133366806
2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid
CID 44784192
1-(2-chlorocyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 79241209

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine?
The IUPAC name of N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine (CID 65028937) is N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine.
What is the SMILES notation for N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine?
The canonical SMILES for N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine is Cc1cc(NC2CCCCC2Cl)c2ccccc2n1.
What is the InChIKey of N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine?
The InChIKey is QRCVYKSWKGIOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11-10-16(12-6-2-4-8-14(12)18-11)19-15-9-5-3-7-13(15)17/h2,4,6,8,10,13,15H,3,5,7,9H2,1H3,(H,18,19).
What are the key properties of N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine?
N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine has a molecular weight of 274.80 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 65028937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).