[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine

C16H21NO2 — CID 62454908

IUPAC[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1cc(OCc2ccc(CN)o2)ccc1C(C)C
InChIInChI=1S/C16H21NO2/c1-11(2)16-7-6-13(8-12(16)3)18-10-15-5-4-14(9-17)19-15/h4-8,11H,9-10,17H2,1-3H3
InChIKeyVYZYVPVPZGSSSC-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.75
Rot. Bonds5

About [5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine

[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 62454908) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
PubChem CID62454908
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1cc(OCc2ccc(CN)o2)ccc1C(C)C
InChIInChI=1S/C16H21NO2/c1-11(2)16-7-6-13(8-12(16)3)18-10-15-5-4-14(9-17)19-15/h4-8,11H,9-10,17H2,1-3H3
InChIKeyVYZYVPVPZGSSSC-UHFFFAOYSA-N
XLogP3.75
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 83135141
[5-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62458746
[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62485761
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 115402732
[5-[(6-methyl-3-pyridinyl)oxymethyl]furan-2-yl]methanamine
CID 62442016
[5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
CID 82085819
(2S)-1-amino-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 9159080
5-[(3-methyl-4-propan-2-ylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576843
2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79764359
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62452413
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile
CID 43367430

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine (CID 62454908) is [5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine is Cc1cc(OCc2ccc(CN)o2)ccc1C(C)C.
What is the InChIKey of [5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is VYZYVPVPZGSSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11(2)16-7-6-13(8-12(16)3)18-10-15-5-4-14(9-17)19-15/h4-8,11H,9-10,17H2,1-3H3.
What are the key properties of [5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine?
[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62454908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).