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

C16H19NO2 — CID 62453447

IUPACN-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(COc2ccccc2)oc1CNC1CC1
InChIInChI=1S/C16H19NO2/c1-12-9-15(11-18-14-5-3-2-4-6-14)19-16(12)10-17-13-7-8-13/h2-6,9,13,17H,7-8,10-11H2,1H3
InChIKeyHLYOOXZHWONYLU-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.42
Rot. Bonds6

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

N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 62453447) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID62453447
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(COc2ccccc2)oc1CNC1CC1
InChIInChI=1S/C16H19NO2/c1-12-9-15(11-18-14-5-3-2-4-6-14)19-16(12)10-17-13-7-8-13/h2-6,9,13,17H,7-8,10-11H2,1H3
InChIKeyHLYOOXZHWONYLU-UHFFFAOYSA-N
XLogP3.42
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453241
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-[(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-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952
N-[[5-[(cyclopropylamino)methyl]-4-methylfuran-2-yl]methyl]-N-ethylaniline
CID 62424504
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-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62449858

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine (CID 62453447) is N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine is Cc1cc(COc2ccccc2)oc1CNC1CC1.
What is the InChIKey of N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is HLYOOXZHWONYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-9-15(11-18-14-5-3-2-4-6-14)19-16(12)10-17-13-7-8-13/h2-6,9,13,17H,7-8,10-11H2,1H3.
What are the key properties of N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 257.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62453447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).