N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline

C16H15NO2 — CID 28619697

IUPACN-(1-benzofuran-2-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(NCc2cc3ccccc3o2)cc1
InChIInChI=1S/C16H15NO2/c1-18-14-8-6-13(7-9-14)17-11-15-10-12-4-2-3-5-16(12)19-15/h2-10,17H,11H2,1H3
InChIKeyRWANBVPWEISYMR-UHFFFAOYSA-N
MW253.30 g/mol
LogP4.05
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline

N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline (PubChem CID 28619697) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-4-methoxyaniline
PubChem CID28619697
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-(1-benzofuran-2-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(NCc2cc3ccccc3o2)cc1
InChIInChI=1S/C16H15NO2/c1-18-14-8-6-13(7-9-14)17-11-15-10-12-4-2-3-5-16(12)19-15/h2-10,17H,11H2,1H3
InChIKeyRWANBVPWEISYMR-UHFFFAOYSA-N
XLogP4.05
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43765976
N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 29276863
N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline
CID 60931110
N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline
CID 29296067
N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 29037427
N-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline
CID 43698651
N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline
CID 55013176
3-[3-(4-methoxyanilino)propyl]chromen-2-one
CID 50941620
N-(1-benzofuran-2-ylmethyl)furan-2-amine
CID 69320598
N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
CID 61166186
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
CID 43180579
N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 132523349

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline (CID 28619697) is N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline is COc1ccc(NCc2cc3ccccc3o2)cc1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline?
The InChIKey is RWANBVPWEISYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-18-14-8-6-13(7-9-14)17-11-15-10-12-4-2-3-5-16(12)19-15/h2-10,17H,11H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline?
N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline has a molecular weight of 253.30 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline is sourced from PubChem (CID 28619697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).