1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine

C16H21N3O — CID 82538540

IUPAC1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine
SMILESCOc1ccc(C(CNc2ccncc2)N(C)C)cc1
InChIInChI=1S/C16H21N3O/c1-19(2)16(12-18-14-8-10-17-11-9-14)13-4-6-15(20-3)7-5-13/h4-11,16H,12H2,1-3H3,(H,17,18)
InChIKeyYRYXHXBSVHJWKH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.81
Rot. Bonds6

About 1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine

1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine (PubChem CID 82538540) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine
PubChem CID82538540
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine
SMILESCOc1ccc(C(CNc2ccncc2)N(C)C)cc1
InChIInChI=1S/C16H21N3O/c1-19(2)16(12-18-14-8-10-17-11-9-14)13-4-6-15(20-3)7-5-13/h4-11,16H,12H2,1-3H3,(H,17,18)
InChIKeyYRYXHXBSVHJWKH-UHFFFAOYSA-N
XLogP2.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924
1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
CID 58442303
1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 86893107
N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 56553548
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
5-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 43842791
1-(4-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 110430946
N'-decyl-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 159053593
(1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 52767438
N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 102555419
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909199

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine (CID 82538540) is 1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine is COc1ccc(C(CNc2ccncc2)N(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine?
The InChIKey is YRYXHXBSVHJWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(2)16(12-18-14-8-10-17-11-9-14)13-4-6-15(20-3)7-5-13/h4-11,16H,12H2,1-3H3,(H,17,18).
What are the key properties of 1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine?
1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine has a molecular weight of 271.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine is sourced from PubChem (CID 82538540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).