N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine

C17H22ClN3O — CID 155529034

IUPACN'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ccc(Cl)cn2)cc1
InChIInChI=1S/C17H22ClN3O/c1-20(2)10-11-21(17-9-6-15(18)12-19-17)13-14-4-7-16(22-3)8-5-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyQJGWPWMKIGSCNA-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.31
Rot. Bonds7

About N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine

N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 155529034) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID155529034
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC NameN'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ccc(Cl)cn2)cc1
InChIInChI=1S/C17H22ClN3O/c1-20(2)10-11-21(17-9-6-15(18)12-19-17)13-14-4-7-16(22-3)8-5-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyQJGWPWMKIGSCNA-UHFFFAOYSA-N
XLogP3.31
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrilamine
CID 4992
Pyrilamine Maleate
CID 5284451
Thonzylamine
CID 5457
Thonzonium
CID 5456
Thonzylamine Hydrochloride
CID 6136
Thonzonium Bromide
CID 11102
Pyrilamine hydrochloride
CID 80139
3-Chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 1104473
2-[(2-Methylaminoethyl)(P-Methoxybenzyl)Amino]Pyridine
CID 153224
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10248164
N-(4-Methoxybenzyl)pyridin-2-amine
CID 97452
Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(2,5-dimethoxyphenyl)ethyl)-
CID 3001159

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine (CID 155529034) is N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine is COc1ccc(CN(CCN(C)C)c2ccc(Cl)cn2)cc1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is QJGWPWMKIGSCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-20(2)10-11-21(17-9-6-15(18)12-19-17)13-14-4-7-16(22-3)8-5-14/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 319.84 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 155529034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).