5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine

C17H23N3O — CID 115984767

IUPAC5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine
SMILESCOc1ccccc1CC(C)N(C)Cc1ccc(N)nc1
InChIInChI=1S/C17H23N3O/c1-13(10-15-6-4-5-7-16(15)21-3)20(2)12-14-8-9-17(18)19-11-14/h4-9,11,13H,10,12H2,1-3H3,(H2,18,19)
InChIKeyATDVGALQOIGHFM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.74
Rot. Bonds6

About 5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine

5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine (PubChem CID 115984767) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine
PubChem CID115984767
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine
SMILESCOc1ccccc1CC(C)N(C)Cc1ccc(N)nc1
InChIInChI=1S/C17H23N3O/c1-13(10-15-6-4-5-7-16(15)21-3)20(2)12-14-8-9-17(18)19-11-14/h4-9,11,13H,10,12H2,1-3H3,(H2,18,19)
InChIKeyATDVGALQOIGHFM-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-iodophenyl)methyl]-1-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 65486312
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methylpyrazine-2,5-diamine
CID 80653405
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454325
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
(2R)-1-(2-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 124505843
5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine
CID 80829894
N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 65486907
5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine
CID 95120663
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine
CID 65485063
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
CID 104711070
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 65483502

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine?
The IUPAC name of 5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine (CID 115984767) is 5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine.
What is the SMILES notation for 5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine?
The canonical SMILES for 5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine is COc1ccccc1CC(C)N(C)Cc1ccc(N)nc1.
What is the InChIKey of 5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine?
The InChIKey is ATDVGALQOIGHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(10-15-6-4-5-7-16(15)21-3)20(2)12-14-8-9-17(18)19-11-14/h4-9,11,13H,10,12H2,1-3H3,(H2,18,19).
What are the key properties of 5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine?
5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine is sourced from PubChem (CID 115984767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).