2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine

C18H25NO2 — CID 62451623

IUPAC2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCc1ccc(OCc2cc(CNCC(C)C)c(C)o2)cc1
InChIInChI=1S/C18H25NO2/c1-13(2)10-19-11-16-9-18(21-15(16)4)12-20-17-7-5-14(3)6-8-17/h5-9,13,19H,10-12H2,1-4H3
InChIKeyIFKNFGRESVFTTQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.22
Rot. Bonds7

About 2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine

2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62451623) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62451623
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCc1ccc(OCc2cc(CNCC(C)C)c(C)o2)cc1
InChIInChI=1S/C18H25NO2/c1-13(2)10-19-11-16-9-18(21-15(16)4)12-20-17-7-5-14(3)6-8-17/h5-9,13,19H,10-12H2,1-4H3
InChIKeyIFKNFGRESVFTTQ-UHFFFAOYSA-N
XLogP4.22
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451987
N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62458167
2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451256
N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 62459116
2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 115942894
N-[[5-[(3,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453235
2-methyl-N-[[5-methyl-4-(propan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62455407
N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62453245
2-methyl-N-[[2-methyl-5-(oxan-4-ylmethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62484927
N-[[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453218
N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 64600076
N-[[2-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62441237

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine (CID 62451623) is 2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine is Cc1ccc(OCc2cc(CNCC(C)C)c(C)o2)cc1.
What is the InChIKey of 2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is IFKNFGRESVFTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(2)10-19-11-16-9-18(21-15(16)4)12-20-17-7-5-14(3)6-8-17/h5-9,13,19H,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62451623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).