N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

C20H28ClN3 — CID 46967252

IUPACN'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccnc1)CC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C20H28ClN3/c1-20(2,18-7-9-19(21)10-8-18)16-24(13-12-23(3)4)15-17-6-5-11-22-14-17/h5-11,14H,12-13,15-16H2,1-4H3
InChIKeyGKWPRYXHMJRCER-UHFFFAOYSA-N
MW345.92 g/mol
LogP4.08
Rot. Bonds8

About N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 46967252) has the molecular formula C20H28ClN3 and a molecular weight of 345.92 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID46967252
Molecular FormulaC20H28ClN3
Molecular Weight345.92 g/mol
Exact Mass345.20
IUPAC NameN'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccnc1)CC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C20H28ClN3/c1-20(2,18-7-9-19(21)10-8-18)16-24(13-12-23(3)4)15-17-6-5-11-22-14-17/h5-11,14H,12-13,15-16H2,1-4H3
InChIKeyGKWPRYXHMJRCER-UHFFFAOYSA-N
XLogP4.08
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671809
N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43818049
N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 46961456
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43817991
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
CID 114495365
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
CID 174532487
CID 174532487
N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 46967251
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 46967252) is N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is CN(C)CCN(Cc1cccnc1)CC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is GKWPRYXHMJRCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3/c1-20(2,18-7-9-19(21)10-8-18)16-24(13-12-23(3)4)15-17-6-5-11-22-14-17/h5-11,14H,12-13,15-16H2,1-4H3.
What are the key properties of N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 345.92 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 46967252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).