N-(dibenzofuran-2-ylmethyl)propan-1-amine

C16H17NO — CID 19048253

IUPACN-(dibenzofuran-2-ylmethyl)propan-1-amine
SMILESCCCNCc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H17NO/c1-2-9-17-11-12-7-8-16-14(10-12)13-5-3-4-6-15(13)18-16/h3-8,10,17H,2,9,11H2,1H3
InChIKeySTBCIIAMOUEKGW-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.09
Rot. Bonds4

About N-(dibenzofuran-2-ylmethyl)propan-1-amine

N-(dibenzofuran-2-ylmethyl)propan-1-amine (PubChem CID 19048253) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(dibenzofuran-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(dibenzofuran-2-ylmethyl)propan-1-amine
PubChem CID19048253
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-(dibenzofuran-2-ylmethyl)propan-1-amine
SMILESCCCNCc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H17NO/c1-2-9-17-11-12-7-8-16-14(10-12)13-5-3-4-6-15(13)18-16/h3-8,10,17H,2,9,11H2,1H3
InChIKeySTBCIIAMOUEKGW-UHFFFAOYSA-N
XLogP4.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(dibenzofuran-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(dibenzofuran-2-ylmethyl)propan-1-amine (CID 19048253) is N-(dibenzofuran-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(dibenzofuran-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(dibenzofuran-2-ylmethyl)propan-1-amine is CCCNCc1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-(dibenzofuran-2-ylmethyl)propan-1-amine?
The InChIKey is STBCIIAMOUEKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-9-17-11-12-7-8-16-14(10-12)13-5-3-4-6-15(13)18-16/h3-8,10,17H,2,9,11H2,1H3.
What are the key properties of N-(dibenzofuran-2-ylmethyl)propan-1-amine?
N-(dibenzofuran-2-ylmethyl)propan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dibenzofuran-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 19048253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).