6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine

C38H46N6O2 — CID 69094800

IUPAC6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine
SMILESCC(C)c1cc(OC2CCN(C)C2)ccc1-c1cccc(N)n1.CC(C)c1cc(Oc2ccn(C)c2)ccc1-c1cccc(N)n1
InChIInChI=1S/C19H25N3O.C19H21N3O/c2*1-13(2)17-11-14(23-15-9-10-22(3)12-15)7-8-16(17)18-5-4-6-19(20)21-18/h4-8,11,13,15H,9-10,12H2,1-3H3,(H2,20,21);4-13H,1-3H3,(H2,20,21)
InChIKeyOLSVVOAFMXGPOF-UHFFFAOYSA-N
MW618.83 g/mol
LogP8.12
Rot. Bonds8

About 6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine

6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine (PubChem CID 69094800) has the molecular formula C38H46N6O2 and a molecular weight of 618.83 g/mol. Its IUPAC name is 6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine
PubChem CID69094800
Molecular FormulaC38H46N6O2
Molecular Weight618.83 g/mol
Exact Mass618.37
IUPAC Name6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine
SMILESCC(C)c1cc(OC2CCN(C)C2)ccc1-c1cccc(N)n1.CC(C)c1cc(Oc2ccn(C)c2)ccc1-c1cccc(N)n1
InChIInChI=1S/C19H25N3O.C19H21N3O/c2*1-13(2)17-11-14(23-15-9-10-22(3)12-15)7-8-16(17)18-5-4-6-19(20)21-18/h4-8,11,13,15H,9-10,12H2,1-3H3,(H2,20,21);4-13H,1-3H3,(H2,20,21)
InChIKeyOLSVVOAFMXGPOF-UHFFFAOYSA-N
XLogP8.12
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.83
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine?
The IUPAC name of 6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine (CID 69094800) is 6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine.
What is the SMILES notation for 6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine?
The canonical SMILES for 6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine is CC(C)c1cc(OC2CCN(C)C2)ccc1-c1cccc(N)n1.CC(C)c1cc(Oc2ccn(C)c2)ccc1-c1cccc(N)n1.
What is the InChIKey of 6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine?
The InChIKey is OLSVVOAFMXGPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.C19H21N3O/c2*1-13(2)17-11-14(23-15-9-10-22(3)12-15)7-8-16(17)18-5-4-6-19(20)21-18/h4-8,11,13,15H,9-10,12H2,1-3H3,(H2,20,21);4-13H,1-3H3,(H2,20,21).
What are the key properties of 6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine?
6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine has a molecular weight of 618.83 g/mol, XLogP of 8.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-methylpyrrolidin-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine;6-[4-(1-methylpyrrol-3-yl)oxy-2-propan-2-ylphenyl]pyridin-2-amine is sourced from PubChem (CID 69094800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).