5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine

C17H23N3O — CID 80630731

IUPAC5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCOc1ccccc1CN(C)c1ncc(CCN)cc1C
InChIInChI=1S/C17H23N3O/c1-13-10-14(8-9-18)11-19-17(13)20(2)12-15-6-4-5-7-16(15)21-3/h4-7,10-11H,8-9,12,18H2,1-3H3
InChIKeyXIDKYSMWYJCCJV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.54
Rot. Bonds6

About 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine

5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine (PubChem CID 80630731) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
PubChem CID80630731
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCOc1ccccc1CN(C)c1ncc(CCN)cc1C
InChIInChI=1S/C17H23N3O/c1-13-10-14(8-9-18)11-19-17(13)20(2)12-15-6-4-5-7-16(15)21-3/h4-7,10-11H,8-9,12,18H2,1-3H3
InChIKeyXIDKYSMWYJCCJV-UHFFFAOYSA-N
XLogP2.54
TPSA51.38 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine
CID 80634800
5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 80629685
5-(2-aminoethyl)-N,3-dimethyl-N-phenylpyridin-2-amine
CID 80633206
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630348
[5-chloro-6-[(2-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 61417850
N'-[5-(2-aminoethyl)-3-methyl-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 80634571
2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147985
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
2-[6-[benzyl(methyl)amino]-5-methyl-3-pyridinyl]ethanol
CID 102544765
5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970851
4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 114925953
5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 80896455

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine (CID 80630731) is 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine is COc1ccccc1CN(C)c1ncc(CCN)cc1C.
What is the InChIKey of 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine?
The InChIKey is XIDKYSMWYJCCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-10-14(8-9-18)11-19-17(13)20(2)12-15-6-4-5-7-16(15)21-3/h4-7,10-11H,8-9,12,18H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine?
5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80630731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).