1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine

C16H23N3O — CID 66404064

IUPAC1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
SMILESCOc1c(C)cnc(Cn2ccc(CC(C)N)c2)c1C
InChIInChI=1S/C16H23N3O/c1-11-8-18-15(13(3)16(11)20-4)10-19-6-5-14(9-19)7-12(2)17/h5-6,8-9,12H,7,10,17H2,1-4H3
InChIKeyBWCGRFUVAUMSHA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.45
Rot. Bonds5

About 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine

1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine (PubChem CID 66404064) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
PubChem CID66404064
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
SMILESCOc1c(C)cnc(Cn2ccc(CC(C)N)c2)c1C
InChIInChI=1S/C16H23N3O/c1-11-8-18-15(13(3)16(11)20-4)10-19-6-5-14(9-19)7-12(2)17/h5-6,8-9,12H,7,10,17H2,1-4H3
InChIKeyBWCGRFUVAUMSHA-UHFFFAOYSA-N
XLogP2.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109512
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405969
1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404482
1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406488
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 79493128
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404476
1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 79240540
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine
CID 55048942
2-[[4-(chloromethyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 62729474
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine
CID 62604362

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine (CID 66404064) is 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine is COc1c(C)cnc(Cn2ccc(CC(C)N)c2)c1C.
What is the InChIKey of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine?
The InChIKey is BWCGRFUVAUMSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-8-18-15(13(3)16(11)20-4)10-19-6-5-14(9-19)7-12(2)17/h5-6,8-9,12H,7,10,17H2,1-4H3.
What are the key properties of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine?
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine is sourced from PubChem (CID 66404064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).