1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine

C17H23N3O — CID 43094028

IUPAC1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1cccc(C(CNc2ccc(C)cn2)N(C)C)c1
InChIInChI=1S/C17H23N3O/c1-13-8-9-17(18-11-13)19-12-16(20(2)3)14-6-5-7-15(10-14)21-4/h5-11,16H,12H2,1-4H3,(H,18,19)
InChIKeyMRMSQXKELBKICH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.11
Rot. Bonds6

About 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine

1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 43094028) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID43094028
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1cccc(C(CNc2ccc(C)cn2)N(C)C)c1
InChIInChI=1S/C17H23N3O/c1-13-8-9-17(18-11-13)19-12-16(20(2)3)14-6-5-7-15(10-14)21-4/h5-11,16H,12H2,1-4H3,(H,18,19)
InChIKeyMRMSQXKELBKICH-UHFFFAOYSA-N
XLogP3.11
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(6-fluoropyrimidin-4-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 115416422
1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 43823561
(1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 52767438
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 51186736
N'-(2,2-dimethoxyethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 63686447
N'-cyclopentyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177820
5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280523
N'-[(E)-3-chloroprop-2-enyl]-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 107899641
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
3-chloro-1-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 116907619
N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 30892362

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine (CID 43094028) is 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine is COc1cccc(C(CNc2ccc(C)cn2)N(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is MRMSQXKELBKICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-8-9-17(18-11-13)19-12-16(20(2)3)14-6-5-7-15(10-14)21-4/h5-11,16H,12H2,1-4H3,(H,18,19).
What are the key properties of 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine?
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 43094028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).