5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline

C16H21NO2 — CID 55162228

IUPAC5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline
SMILESCOc1ccc(C(C)(C)C)cc1NCc1ccoc1
InChIInChI=1S/C16H21NO2/c1-16(2,3)13-5-6-15(18-4)14(9-13)17-10-12-7-8-19-11-12/h5-9,11,17H,10H2,1-4H3
InChIKeyHSBFRLLDKVJOJN-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.20
Rot. Bonds4

About 5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline

5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline (PubChem CID 55162228) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline
PubChem CID55162228
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline
SMILESCOc1ccc(C(C)(C)C)cc1NCc1ccoc1
InChIInChI=1S/C16H21NO2/c1-16(2,3)13-5-6-15(18-4)14(9-13)17-10-12-7-8-19-11-12/h5-9,11,17H,10H2,1-4H3
InChIKeyHSBFRLLDKVJOJN-UHFFFAOYSA-N
XLogP4.20
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-[(3-fluorophenyl)methyl]-2-methoxyaniline
CID 43229847
5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43425876
N-[(5-bromothiophen-3-yl)methyl]-5-tert-butyl-2-methoxyaniline
CID 43681233
5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 63426533
3-chloro-N-(furan-3-ylmethyl)-4-methoxyaniline
CID 63203405
N-[(4-bromothiophen-2-yl)methyl]-5-tert-butyl-2-methoxyaniline
CID 43681244
2-(4-tert-butyl-2-methylphenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62598772
N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
CID 96672535
5-tert-butyl-2-methoxy-N-(1H-pyrrol-2-ylmethyl)aniline
CID 55060260
2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline
CID 63204279
5-[(5-tert-butyl-2-methoxyanilino)methyl]furan-2-carbonitrile
CID 115743415
5-[(5-tert-butyl-2-methoxyanilino)methyl]thiophene-2-carbonitrile
CID 115743418

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline?
The IUPAC name of 5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline (CID 55162228) is 5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline.
What is the SMILES notation for 5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline?
The canonical SMILES for 5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline is COc1ccc(C(C)(C)C)cc1NCc1ccoc1.
What is the InChIKey of 5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline?
The InChIKey is HSBFRLLDKVJOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2,3)13-5-6-15(18-4)14(9-13)17-10-12-7-8-19-11-12/h5-9,11,17H,10H2,1-4H3.
What are the key properties of 5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline?
5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline has a molecular weight of 259.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline is sourced from PubChem (CID 55162228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).