N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine

C20H23N3 — CID 166219597

IUPACN,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine
SMILESCc1cnc2ccccc2c1NCC(c1ccccc1)N(C)C
InChIInChI=1S/C20H23N3/c1-15-13-21-18-12-8-7-11-17(18)20(15)22-14-19(23(2)3)16-9-5-4-6-10-16/h4-13,19H,14H2,1-3H3,(H,21,22)
InChIKeyKPRWZCBZIUQLDI-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.26
Rot. Bonds5

About N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine

N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine (PubChem CID 166219597) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine
PubChem CID166219597
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC NameN,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine
SMILESCc1cnc2ccccc2c1NCC(c1ccccc1)N(C)C
InChIInChI=1S/C20H23N3/c1-15-13-21-18-12-8-7-11-17(18)20(15)22-14-19(23(2)3)16-9-5-4-6-10-16/h4-13,19H,14H2,1-3H3,(H,21,22)
InChIKeyKPRWZCBZIUQLDI-UHFFFAOYSA-N
XLogP4.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-2-N-methyl-1-N-(3-methylquinolin-4-yl)propane-1,2-diamine
CID 167949908
3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol
CID 166303875
(1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine
CID 8850849
(1S)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine
CID 8850851
N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 121377379
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid
CID 10471239
4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine
CID 86052490
N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine
CID 133306714
N-[(2R)-2-(dimethylamino)-2-phenylethyl]isoquinoline-1-carboxamide
CID 52821972
(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine
CID 52680047
N'-(3,3-dimethylbutyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 55023556

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine (CID 166219597) is N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine is Cc1cnc2ccccc2c1NCC(c1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine?
The InChIKey is KPRWZCBZIUQLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-15-13-21-18-12-8-7-11-17(18)20(15)22-14-19(23(2)3)16-9-5-4-6-10-16/h4-13,19H,14H2,1-3H3,(H,21,22).
What are the key properties of N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine?
N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine has a molecular weight of 305.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 166219597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).