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

C18H25NO2 — CID 62453419

IUPAC2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1cccc(OCc2cc(CNC(C)(C)C)c(C)o2)c1
InChIInChI=1S/C18H25NO2/c1-13-7-6-8-16(9-13)20-12-17-10-15(14(2)21-17)11-19-18(3,4)5/h6-10,19H,11-12H2,1-5H3
InChIKeyRHPHQTLBNTZWHE-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.36
Rot. Bonds5

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

2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62453419) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62453419
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1cccc(OCc2cc(CNC(C)(C)C)c(C)o2)c1
InChIInChI=1S/C18H25NO2/c1-13-7-6-8-16(9-13)20-12-17-10-15(14(2)21-17)11-19-18(3,4)5/h6-10,19H,11-12H2,1-5H3
InChIKeyRHPHQTLBNTZWHE-UHFFFAOYSA-N
XLogP4.36
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62453245
N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63498603
N-[[4-[(3-bromophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63498051
N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62460996
2-methyl-N-[[5-methyl-4-(phenoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62454665
1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62442170
N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62446188
N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62455984
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 82005396
2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 43477174
N-[[5-[(3,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453235
2-methyl-N-[[2-methyl-5-(oxetan-3-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 102608122

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (CID 62453419) is 2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is Cc1cccc(OCc2cc(CNC(C)(C)C)c(C)o2)c1.
What is the InChIKey of 2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is RHPHQTLBNTZWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-7-6-8-16(9-13)20-12-17-10-15(14(2)21-17)11-19-18(3,4)5/h6-10,19H,11-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 287.40 g/mol, XLogP of 4.36, 5 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-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62453419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).