N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine

C14H20N2O2 — CID 79508443

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCOc1ccc(CNC2=NCCCC2)cc1OC
InChIInChI=1S/C14H20N2O2/c1-17-12-7-6-11(9-13(12)18-2)10-16-14-5-3-4-8-15-14/h6-7,9H,3-5,8,10H2,1-2H3,(H,15,16)
InChIKeyHYBPIIMZHZVASD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.38
Rot. Bonds4

About N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79508443) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79508443
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCOc1ccc(CNC2=NCCCC2)cc1OC
InChIInChI=1S/C14H20N2O2/c1-17-12-7-6-11(9-13(12)18-2)10-16-14-5-3-4-8-15-14/h6-7,9H,3-5,8,10H2,1-2H3,(H,15,16)
InChIKeyHYBPIIMZHZVASD-UHFFFAOYSA-N
XLogP2.38
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-amino-4-methoxyphenyl)methoxy]-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
CID 141346456
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide
CID 119113056
1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
CID 3044563
N-[(3,4-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-amine
CID 4752748
N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
CID 18428438
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43555122
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
1-N-[(3,4-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 964328
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916050
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 79508443) is N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine is COc1ccc(CNC2=NCCCC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is HYBPIIMZHZVASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-12-7-6-11(9-13(12)18-2)10-16-14-5-3-4-8-15-14/h6-7,9H,3-5,8,10H2,1-2H3,(H,15,16).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 248.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79508443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).