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

C20H23N3 — CID 8850849

IUPAC(1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine
SMILESCc1cc(NC[C@@H](c2ccccc2)N(C)C)nc2ccccc12
InChIInChI=1S/C20H23N3/c1-15-13-20(22-18-12-8-7-11-17(15)18)21-14-19(23(2)3)16-9-5-4-6-10-16/h4-13,19H,14H2,1-3H3,(H,21,22)/t19-/m0/s1
InChIKeyAJLYMXUBVHRIBI-IBGZPJMESA-N
MW305.43 g/mol
LogP4.26
Rot. Bonds5

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

(1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine (PubChem CID 8850849) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine
PubChem CID8850849
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name(1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine
SMILESCc1cc(NC[C@@H](c2ccccc2)N(C)C)nc2ccccc12
InChIInChI=1S/C20H23N3/c1-15-13-20(22-18-12-8-7-11-17(15)18)21-14-19(23(2)3)16-9-5-4-6-10-16/h4-13,19H,14H2,1-3H3,(H,21,22)/t19-/m0/s1
InChIKeyAJLYMXUBVHRIBI-IBGZPJMESA-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

(1S)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine
CID 8850851
N,N-dimethyl-N'-(3-methylquinolin-4-yl)-1-phenylethane-1,2-diamine
CID 166219597
4-methyl-N-phenylquinolin-2-amine
CID 616278
N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 121377379
bis(N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine);hydrate;tetrahydrochloride
CID 67663947
N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride
CID 67663946
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 133361606
N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride
CID 56728827
[3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid
CID 22640731
N-ethyl-N-[3-[(4-methylquinolin-2-yl)amino]propyl]methanesulfonamide
CID 60521104
ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate
CID 102436665

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of (1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine (CID 8850849) is (1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for (1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for (1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine is Cc1cc(NC[C@@H](c2ccccc2)N(C)C)nc2ccccc12.
What is the InChIKey of (1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine?
The InChIKey is AJLYMXUBVHRIBI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N3/c1-15-13-20(22-18-12-8-7-11-17(15)18)21-14-19(23(2)3)16-9-5-4-6-10-16/h4-13,19H,14H2,1-3H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine?
(1R)-N,N-dimethyl-N'-(4-methylquinolin-2-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 (1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 8850849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).