N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine

C16H21NO2 — CID 60761686

IUPACN-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCc1ccc(CNCc2ccc(OC(C)C)cc2)o1
InChIInChI=1S/C16H21NO2/c1-12(2)18-15-8-5-14(6-9-15)10-17-11-16-7-4-13(3)19-16/h4-9,12,17H,10-11H2,1-3H3
InChIKeyAFROKQMISFBZBK-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.67
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine

N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 60761686) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID60761686
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCc1ccc(CNCc2ccc(OC(C)C)cc2)o1
InChIInChI=1S/C16H21NO2/c1-12(2)18-15-8-5-14(6-9-15)10-17-11-16-7-4-13(3)19-16/h4-9,12,17H,10-11H2,1-3H3
InChIKeyAFROKQMISFBZBK-UHFFFAOYSA-N
XLogP3.67
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
CID 84756405
N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 62523844
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 11393202
1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 54897632
N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine
CID 119163966
1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine
CID 82711189
N-[(5-ethylfuran-2-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 62347378
5-[(4-propan-2-yloxyanilino)methyl]furan-2-carboxylic acid
CID 63316777

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine (CID 60761686) is N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine is Cc1ccc(CNCc2ccc(OC(C)C)cc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is AFROKQMISFBZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(2)18-15-8-5-14(6-9-15)10-17-11-16-7-4-13(3)19-16/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 60761686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).