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

C17H17N3O — CID 106535419

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine
SMILESNc1ccccc1CN(c1nccc2occc12)C1CC1
InChIInChI=1S/C17H17N3O/c18-15-4-2-1-3-12(15)11-20(13-5-6-13)17-14-8-10-21-16(14)7-9-19-17/h1-4,7-10,13H,5-6,11,18H2
InChIKeyUHLVMOVMVWONCU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.58
Rot. Bonds4

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

N-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine (PubChem CID 106535419) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine
PubChem CID106535419
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine
SMILESNc1ccccc1CN(c1nccc2occc12)C1CC1
InChIInChI=1S/C17H17N3O/c18-15-4-2-1-3-12(15)11-20(13-5-6-13)17-14-8-10-21-16(14)7-9-19-17/h1-4,7-10,13H,5-6,11,18H2
InChIKeyUHLVMOVMVWONCU-UHFFFAOYSA-N
XLogP3.58
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.58
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-propan-2-ylfuro[3,2-c]pyridin-4-amine
CID 106535415
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine
CID 62771119
N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine
CID 116648705
3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine
CID 55031150
N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65276126
6-[(2-aminophenyl)methyl-cyclopropylamino]-2H-1,2,4-triazine-3,5-dione
CID 60876858
N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine
CID 103582921
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylfuro[3,2-c]pyridin-4-amine
CID 106535244
N-propyl-N-pyrrolidin-3-ylfuro[3,2-c]pyridin-4-amine
CID 106535287
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine
CID 61239551
N'-benzyl-N'-furo[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 106535010
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65276128

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine (CID 106535419) is N-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine is Nc1ccccc1CN(c1nccc2occc12)C1CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine?
The InChIKey is UHLVMOVMVWONCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-15-4-2-1-3-12(15)11-20(13-5-6-13)17-14-8-10-21-16(14)7-9-19-17/h1-4,7-10,13H,5-6,11,18H2.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine?
N-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 3.58, 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-cyclopropylfuro[3,2-c]pyridin-4-amine is sourced from PubChem (CID 106535419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).