N-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine

C19H26N2O — CID 165160846

IUPACN-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine
SMILESC[C@H](CC(C)(C)C)NC1C=c2c(oc3ccccc23)=CN1C
InChIInChI=1S/C19H26N2O/c1-13(11-19(2,3)4)20-18-10-15-14-8-6-7-9-16(14)22-17(15)12-21(18)5/h6-10,12-13,18,20H,11H2,1-5H3/t13-,18?/m1/s1
InChIKeyNXVBAVKTESUWCZ-YJJYDOSJSA-N
MW298.43 g/mol
LogP2.64
Rot. Bonds3

About N-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine

N-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine (PubChem CID 165160846) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine
PubChem CID165160846
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine
SMILESC[C@H](CC(C)(C)C)NC1C=c2c(oc3ccccc23)=CN1C
InChIInChI=1S/C19H26N2O/c1-13(11-19(2,3)4)20-18-10-15-14-8-6-7-9-16(14)22-17(15)12-21(18)5/h6-10,12-13,18,20H,11H2,1-5H3/t13-,18?/m1/s1
InChIKeyNXVBAVKTESUWCZ-YJJYDOSJSA-N
XLogP2.64
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine?
The IUPAC name of N-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine (CID 165160846) is N-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine?
The canonical SMILES for N-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine is C[C@H](CC(C)(C)C)NC1C=c2c(oc3ccccc23)=CN1C.
What is the InChIKey of N-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine?
The InChIKey is NXVBAVKTESUWCZ-YJJYDOSJSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13(11-19(2,3)4)20-18-10-15-14-8-6-7-9-16(14)22-17(15)12-21(18)5/h6-10,12-13,18,20H,11H2,1-5H3/t13-,18?/m1/s1.
What are the key properties of N-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine?
N-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine has a molecular weight of 298.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4,4-dimethylpentan-2-yl]-2-methyl-3H-[1]benzofuro[2,3-c]pyridin-3-amine is sourced from PubChem (CID 165160846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).