N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

C19H27N3O — CID 46961765

IUPACN'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCOc1ccccc1CN(CCN(C)C)Cc1ccncc1
InChIInChI=1S/C19H27N3O/c1-4-23-19-8-6-5-7-18(19)16-22(14-13-21(2)3)15-17-9-11-20-12-10-17/h5-12H,4,13-16H2,1-3H3
InChIKeyQSAZBLVPBXSLSJ-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.04
Rot. Bonds9

About N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 46961765) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID46961765
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCOc1ccccc1CN(CCN(C)C)Cc1ccncc1
InChIInChI=1S/C19H27N3O/c1-4-23-19-8-6-5-7-18(19)16-22(14-13-21(2)3)15-17-9-11-20-12-10-17/h5-12H,4,13-16H2,1-3H3
InChIKeyQSAZBLVPBXSLSJ-UHFFFAOYSA-N
XLogP3.04
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 46998544
2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 1360347
N,N-dimethyl-N'-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43818008
N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 16676739
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280687
N-benzyl-N-[(2-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 2245013
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43564017
1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 60569628
(2S)-2-amino-4-[[2-[(3-methylphenyl)methoxy]phenyl]methyl-(pyridin-4-ylmethyl)amino]butanoic acid
CID 170716882
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60892643

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 46961765) is N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is CCOc1ccccc1CN(CCN(C)C)Cc1ccncc1.
What is the InChIKey of N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is QSAZBLVPBXSLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-23-19-8-6-5-7-18(19)16-22(14-13-21(2)3)15-17-9-11-20-12-10-17/h5-12H,4,13-16H2,1-3H3.
What are the key properties of N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 313.45 g/mol, XLogP of 3.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 46961765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).