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

C15H27NO2 — CID 62446258

IUPAC2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCc1cc(COCC(C)C)oc1CNCC(C)C
InChIInChI=1S/C15H27NO2/c1-11(2)7-16-8-15-13(5)6-14(18-15)10-17-9-12(3)4/h6,11-12,16H,7-10H2,1-5H3
InChIKeyXVBGRJVAUFZLDX-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.51
Rot. Bonds8

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

2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62446258) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62446258
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCc1cc(COCC(C)C)oc1CNCC(C)C
InChIInChI=1S/C15H27NO2/c1-11(2)7-16-8-15-13(5)6-14(18-15)10-17-9-12(3)4/h6,11-12,16H,7-10H2,1-5H3
InChIKeyXVBGRJVAUFZLDX-UHFFFAOYSA-N
XLogP3.51
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[3-methyl-5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445356
2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441502
2-methyl-N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62457691
N-[[5-(3-methoxypropoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073533
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]ethanamine
CID 106449758
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 106450107
2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453088
N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459152
N-[[3-methyl-5-(2-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 103285591
2-methyl-N-[[3-methyl-5-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]propan-1-amine
CID 81341208
N-[[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63492504
N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
CID 62456796

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 62446258) is 2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine is Cc1cc(COCC(C)C)oc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is XVBGRJVAUFZLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(2)7-16-8-15-13(5)6-14(18-15)10-17-9-12(3)4/h6,11-12,16H,7-10H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62446258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).