N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine

C17H23NO — CID 115844127

IUPACN-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1coc(C)c1
InChIInChI=1S/C17H23NO/c1-12(2)15-7-5-14(6-8-15)10-17(18-4)16-9-13(3)19-11-16/h5-9,11-12,17-18H,10H2,1-4H3
InChIKeyZPOFDLLTKNTNON-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.21
Rot. Bonds5

About N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine

N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 115844127) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID115844127
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1coc(C)c1
InChIInChI=1S/C17H23NO/c1-12(2)15-7-5-14(6-8-15)10-17(18-4)16-9-13(3)19-11-16/h5-9,11-12,17-18H,10H2,1-4H3
InChIKeyZPOFDLLTKNTNON-UHFFFAOYSA-N
XLogP4.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 114821279
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 114821301
N-methyl-1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63413558
1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107974526
N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 105137056
1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 106857333
2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842340
1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63411987
2-(2,4-dichlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115839913
N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63413775
2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842885
N-methyl-1-(4-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63840960

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine (CID 115844127) is N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine is CNC(Cc1ccc(C(C)C)cc1)c1coc(C)c1.
What is the InChIKey of N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is ZPOFDLLTKNTNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12(2)15-7-5-14(6-8-15)10-17(18-4)16-9-13(3)19-11-16/h5-9,11-12,17-18H,10H2,1-4H3.
What are the key properties of N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine?
N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 115844127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).