N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine

C18H16N2O — CID 28876961

IUPACN-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine
SMILESCn1cccc1CNc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H16N2O/c1-20-10-4-5-14(20)12-19-13-8-9-18-16(11-13)15-6-2-3-7-17(15)21-18/h2-11,19H,12H2,1H3
InChIKeyCPXOZZNZMWIUNB-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.54
Rot. Bonds3

About N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine

N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine (PubChem CID 28876961) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine
PubChem CID28876961
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine
SMILESCn1cccc1CNc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H16N2O/c1-20-10-4-5-14(20)12-19-13-8-9-18-16(11-13)15-6-2-3-7-17(15)21-18/h2-11,19H,12H2,1H3
InChIKeyCPXOZZNZMWIUNB-UHFFFAOYSA-N
XLogP4.54
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine
CID 62757748
5-[(1-methylpyrrol-2-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 62133508
2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 62128757
N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine
CID 23521797
N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine
CID 22664248
N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine
CID 142075806
N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine
CID 107441212
N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole
CID 62133510
N-dibenzofuran-2-ylformamide
CID 64992528
methyl N-[3-[(1-methylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 55039229
8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine
CID 22663982

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine (CID 28876961) is N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine is Cn1cccc1CNc1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine?
The InChIKey is CPXOZZNZMWIUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-20-10-4-5-14(20)12-19-13-8-9-18-16(11-13)15-6-2-3-7-17(15)21-18/h2-11,19H,12H2,1H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine?
N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine has a molecular weight of 276.34 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine is sourced from PubChem (CID 28876961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).