N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine

C21H25N3 — CID 59644278

IUPACN',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine
SMILESCc1cc(Cc2cccc(NCCN(C)C)c2)c2ccccc2n1
InChIInChI=1S/C21H25N3/c1-16-13-18(20-9-4-5-10-21(20)23-16)14-17-7-6-8-19(15-17)22-11-12-24(2)3/h4-10,13,15,22H,11-12,14H2,1-3H3
InChIKeyZHZADJLFUFFXMW-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.11
Rot. Bonds6

About N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine

N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine (PubChem CID 59644278) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine
PubChem CID59644278
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine
SMILESCc1cc(Cc2cccc(NCCN(C)C)c2)c2ccccc2n1
InChIInChI=1S/C21H25N3/c1-16-13-18(20-9-4-5-10-21(20)23-16)14-17-7-6-8-19(15-17)22-11-12-24(2)3/h4-10,13,15,22H,11-12,14H2,1-3H3
InChIKeyZHZADJLFUFFXMW-UHFFFAOYSA-N
XLogP4.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine (CID 59644278) is N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine is Cc1cc(Cc2cccc(NCCN(C)C)c2)c2ccccc2n1.
What is the InChIKey of N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine?
The InChIKey is ZHZADJLFUFFXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-16-13-18(20-9-4-5-10-21(20)23-16)14-17-7-6-8-19(15-17)22-11-12-24(2)3/h4-10,13,15,22H,11-12,14H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine has a molecular weight of 319.45 g/mol, XLogP of 4.11, 6 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-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine is sourced from PubChem (CID 59644278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).