N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine

C18H23NO2 — CID 62453241

IUPACN-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(OCc2cc(C)c(CNC3CC3)o2)c1
InChIInChI=1S/C18H23NO2/c1-12-6-13(2)8-16(7-12)20-11-17-9-14(3)18(21-17)10-19-15-4-5-15/h6-9,15,19H,4-5,10-11H2,1-3H3
InChIKeyMOXSHSFUXOSQJL-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.04
Rot. Bonds6

About N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine

N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 62453241) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID62453241
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1cc(C)cc(OCc2cc(C)c(CNC3CC3)o2)c1
InChIInChI=1S/C18H23NO2/c1-12-6-13(2)8-16(7-12)20-11-17-9-14(3)18(21-17)10-19-15-4-5-15/h6-9,15,19H,4-5,10-11H2,1-3H3
InChIKeyMOXSHSFUXOSQJL-UHFFFAOYSA-N
XLogP4.04
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62784534
N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62453447
N-[[5-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453224
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460870
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952
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-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 82956792
N-[[5-[(dimethylamino)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62418013
N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62486326
N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 106316701
N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62440078

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine (CID 62453241) is N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine is Cc1cc(C)cc(OCc2cc(C)c(CNC3CC3)o2)c1.
What is the InChIKey of N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is MOXSHSFUXOSQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-6-13(2)8-16(7-12)20-11-17-9-14(3)18(21-17)10-19-15-4-5-15/h6-9,15,19H,4-5,10-11H2,1-3H3.
What are the key properties of N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine has a molecular weight of 285.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62453241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).