N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine

C15H23NO3 — CID 62486326

IUPACN-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(COCC2CCOC2)oc1CNC1CC1
InChIInChI=1S/C15H23NO3/c1-11-6-14(10-18-9-12-4-5-17-8-12)19-15(11)7-16-13-2-3-13/h6,12-13,16H,2-5,7-10H2,1H3
InChIKeyIQWPHHACCGKASS-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.39
Rot. Bonds7

About N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine

N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 62486326) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID62486326
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(COCC2CCOC2)oc1CNC1CC1
InChIInChI=1S/C15H23NO3/c1-11-6-14(10-18-9-12-4-5-17-8-12)19-15(11)7-16-13-2-3-13/h6,12-13,16H,2-5,7-10H2,1H3
InChIKeyIQWPHHACCGKASS-UHFFFAOYSA-N
XLogP2.39
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62470359
N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 82956792
N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453241
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952
N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62453447
N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62784534
N-[[5-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453224
N-[[5-[(dimethylamino)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62418013
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986645
N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460285
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460870
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 63940268

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine (CID 62486326) is N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine is Cc1cc(COCC2CCOC2)oc1CNC1CC1.
What is the InChIKey of N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is IQWPHHACCGKASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-6-14(10-18-9-12-4-5-17-8-12)19-15(11)7-16-13-2-3-13/h6,12-13,16H,2-5,7-10H2,1H3.
What are the key properties of N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 265.35 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62486326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).