N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine

C18H17ClN2 — CID 65027861

IUPACN-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine
SMILESCc1cc(NCC(Cl)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H17ClN2/c1-13-11-18(15-9-5-6-10-17(15)21-13)20-12-16(19)14-7-3-2-4-8-14/h2-11,16H,12H2,1H3,(H,20,21)
InChIKeyROYWRGJHVHRILX-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.94
Rot. Bonds4

About N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine

N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine (PubChem CID 65027861) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine
PubChem CID65027861
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC NameN-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine
SMILESCc1cc(NCC(Cl)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H17ClN2/c1-13-11-18(15-9-5-6-10-17(15)21-13)20-12-16(19)14-7-3-2-4-8-14/h2-11,16H,12H2,1H3,(H,20,21)
InChIKeyROYWRGJHVHRILX-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.94
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

2-methyl-N-(2-phenylpropyl)quinolin-4-amine
CID 104591691
2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
CID 63535075
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
(1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 97068033
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine
CID 113484976
N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine
CID 133306714
N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine
CID 114150940
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylquinolin-4-amine
CID 71899447
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine?
The IUPAC name of N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine (CID 65027861) is N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine is Cc1cc(NCC(Cl)c2ccccc2)c2ccccc2n1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine?
The InChIKey is ROYWRGJHVHRILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-13-11-18(15-9-5-6-10-17(15)21-13)20-12-16(19)14-7-3-2-4-8-14/h2-11,16H,12H2,1H3,(H,20,21).
What are the key properties of N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine?
N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine has a molecular weight of 296.80 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 65027861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).