N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine

C18H25NO2 — CID 62453755

IUPACN-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)c(OCc2ccc(CNCC(C)C)o2)c1
InChIInChI=1S/C18H25NO2/c1-13(2)10-19-11-16-7-8-17(21-16)12-20-18-9-14(3)5-6-15(18)4/h5-9,13,19H,10-12H2,1-4H3
InChIKeyNIRJHDDBFSOCCN-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.22
Rot. Bonds7

About N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62453755) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62453755
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)c(OCc2ccc(CNCC(C)C)o2)c1
InChIInChI=1S/C18H25NO2/c1-13(2)10-19-11-16-7-8-17(21-16)12-20-18-9-14(3)5-6-15(18)4/h5-9,13,19H,10-12H2,1-4H3
InChIKeyNIRJHDDBFSOCCN-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

N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453396
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496647
1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 102980972
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496490
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 107286059
N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452717
N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62485481
2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453088
1-[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62453040
N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62452561
N-[[5-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62453045

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (CID 62453755) is N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is Cc1ccc(C)c(OCc2ccc(CNCC(C)C)o2)c1.
What is the InChIKey of N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NIRJHDDBFSOCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(2)10-19-11-16-7-8-17(21-16)12-20-18-9-14(3)5-6-15(18)4/h5-9,13,19H,10-12H2,1-4H3.
What are the key properties of N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-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 N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62453755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).