N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine

C17H21NO3 — CID 62440737

IUPACN-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine
SMILESCOc1cccc(COCc2ccoc2CNC2CC2)c1
InChIInChI=1S/C17H21NO3/c1-19-16-4-2-3-13(9-16)11-20-12-14-7-8-21-17(14)10-18-15-5-6-15/h2-4,7-9,15,18H,5-6,10-12H2,1H3
InChIKeyHNJBCHADECXSHF-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.26
Rot. Bonds8

About N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine

N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62440737) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62440737
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine
SMILESCOc1cccc(COCc2ccoc2CNC2CC2)c1
InChIInChI=1S/C17H21NO3/c1-19-16-4-2-3-13(9-16)11-20-12-14-7-8-21-17(14)10-18-15-5-6-15/h2-4,7-9,15,18H,5-6,10-12H2,1H3
InChIKeyHNJBCHADECXSHF-UHFFFAOYSA-N
XLogP3.26
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(3-ethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62450134
N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62442427
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62459727
1-(cyclopropylamino)-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 43090645
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
N-[[3-(2-cyclobutylethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 106206176
1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine
CID 82832319
N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
CID 62565943

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine (CID 62440737) is N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine is COc1cccc(COCc2ccoc2CNC2CC2)c1.
What is the InChIKey of N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is HNJBCHADECXSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-16-4-2-3-13(9-16)11-20-12-14-7-8-21-17(14)10-18-15-5-6-15/h2-4,7-9,15,18H,5-6,10-12H2,1H3.
What are the key properties of N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 287.36 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62440737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).