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

C17H21NO2 — CID 62444645

IUPACN-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COCc2ccccc2)cc1CNC1CC1
InChIInChI=1S/C17H21NO2/c1-13-15(10-18-16-7-8-16)9-17(20-13)12-19-11-14-5-3-2-4-6-14/h2-6,9,16,18H,7-8,10-12H2,1H3
InChIKeyUNZKRNQWCXJAMS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.56
Rot. Bonds7

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

N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine (PubChem CID 62444645) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
PubChem CID62444645
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COCc2ccccc2)cc1CNC1CC1
InChIInChI=1S/C17H21NO2/c1-13-15(10-18-16-7-8-16)9-17(20-13)12-19-11-14-5-3-2-4-6-14/h2-6,9,16,18H,7-8,10-12H2,1H3
InChIKeyUNZKRNQWCXJAMS-UHFFFAOYSA-N
XLogP3.56
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(furan-2-ylmethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446362
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 82005395
N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62485651
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 103181090
N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62458955
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62450215
N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 65125800
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62460346
N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 64712809
N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125367
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62484961

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine (CID 62444645) is N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine is Cc1oc(COCc2ccccc2)cc1CNC1CC1.
What is the InChIKey of N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
The InChIKey is UNZKRNQWCXJAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-15(10-18-16-7-8-16)9-17(20-13)12-19-11-14-5-3-2-4-6-14/h2-6,9,16,18H,7-8,10-12H2,1H3.
What are the key properties of N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine?
N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine has a molecular weight of 271.36 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62444645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).