N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine

C17H19N3O — CID 106535415

IUPACN-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine
SMILESCC(C)N(Cc1ccccc1N)c1nccc2occc12
InChIInChI=1S/C17H19N3O/c1-12(2)20(11-13-5-3-4-6-15(13)18)17-14-8-10-21-16(14)7-9-19-17/h3-10,12H,11,18H2,1-2H3
InChIKeyMERCCGBIXWTWEL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.83
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine

N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine (PubChem CID 106535415) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine
PubChem CID106535415
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine
SMILESCC(C)N(Cc1ccccc1N)c1nccc2occc12
InChIInChI=1S/C17H19N3O/c1-12(2)20(11-13-5-3-4-6-15(13)18)17-14-8-10-21-16(14)7-9-19-17/h3-10,12H,11,18H2,1-2H3
InChIKeyMERCCGBIXWTWEL-UHFFFAOYSA-N
XLogP3.83
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine
CID 106535419
N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 60875898
N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60876647
N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine
CID 114836412
N'-benzyl-N'-furo[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 106535010
1-[furo[3,2-c]pyridin-4-yl(methyl)amino]propan-2-ol
CID 91662123
2-[furo[3,2-c]pyridin-4-yl(methyl)amino]propan-1-ol
CID 103873021
6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile
CID 60874951
N-[(2-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
CID 114476643
N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225311
2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile
CID 60876648
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 65208717

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine (CID 106535415) is N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine is CC(C)N(Cc1ccccc1N)c1nccc2occc12.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine?
The InChIKey is MERCCGBIXWTWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(2)20(11-13-5-3-4-6-15(13)18)17-14-8-10-21-16(14)7-9-19-17/h3-10,12H,11,18H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine?
N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine is sourced from PubChem (CID 106535415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).