N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine

C16H21NO3 — CID 62459058

IUPACN-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COc1ccc(OC)cc1
InChIInChI=1S/C16H21NO3/c1-3-9-17-11-16-13(8-10-19-16)12-20-15-6-4-14(18-2)5-7-15/h4-8,10,17H,3,9,11-12H2,1-2H3
InChIKeyCSBRJHAVLSNZNV-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.37
Rot. Bonds8

About N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine

N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62459058) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62459058
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1COc1ccc(OC)cc1
InChIInChI=1S/C16H21NO3/c1-3-9-17-11-16-13(8-10-19-16)12-20-15-6-4-14(18-2)5-7-15/h4-8,10,17H,3,9,11-12H2,1-2H3
InChIKeyCSBRJHAVLSNZNV-UHFFFAOYSA-N
XLogP3.37
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450156
N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63498079
N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62449622
N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452982
N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453896
N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62442648
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 64854897
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527
N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 65125363
N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 103490562

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine (CID 62459058) is N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1COc1ccc(OC)cc1.
What is the InChIKey of N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is CSBRJHAVLSNZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-9-17-11-16-13(8-10-19-16)12-20-15-6-4-14(18-2)5-7-15/h4-8,10,17H,3,9,11-12H2,1-2H3.
What are the key properties of N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62459058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).