N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine

C16H20N2O2 — CID 171697744

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
SMILESCOc1ccc([C@@H](C)Nc2ccc(C)cn2)cc1OC
InChIInChI=1S/C16H20N2O2/c1-11-5-8-16(17-10-11)18-12(2)13-6-7-14(19-3)15(9-13)20-4/h5-10,12H,1-4H3,(H,17,18)/t12-/m1/s1
InChIKeyLDMZINRQTUQLSC-GFCCVEGCSA-N
MW272.35 g/mol
LogP3.58
Rot. Bonds5

About N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine (PubChem CID 171697744) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
PubChem CID171697744
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
SMILESCOc1ccc([C@@H](C)Nc2ccc(C)cn2)cc1OC
InChIInChI=1S/C16H20N2O2/c1-11-5-8-16(17-10-11)18-12(2)13-6-7-14(19-3)15(9-13)20-4/h5-10,12H,1-4H3,(H,17,18)/t12-/m1/s1
InChIKeyLDMZINRQTUQLSC-GFCCVEGCSA-N
XLogP3.58
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 66244498
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80711317
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591099
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982753
3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 84588011
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
1,2-dimethoxy-4-[1-(4-methylphenyl)ethyl]benzene
CID 57200665
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297281
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
CID 103580081
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine (CID 171697744) is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine is COc1ccc([C@@H](C)Nc2ccc(C)cn2)cc1OC.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine?
The InChIKey is LDMZINRQTUQLSC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-8-16(17-10-11)18-12(2)13-6-7-14(19-3)15(9-13)20-4/h5-10,12H,1-4H3,(H,17,18)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine?
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 171697744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).