N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine

C17H23NO2 — CID 2364287

IUPACN-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine
SMILESCc1cc(C)c(OCCCNCc2ccco2)c(C)c1
InChIInChI=1S/C17H23NO2/c1-13-10-14(2)17(15(3)11-13)20-9-5-7-18-12-16-6-4-8-19-16/h4,6,8,10-11,18H,5,7,9,12H2,1-3H3
InChIKeyNNXRNUCPMJCEQR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.76
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine

N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine (PubChem CID 2364287) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine
PubChem CID2364287
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine
SMILESCc1cc(C)c(OCCCNCc2ccco2)c(C)c1
InChIInChI=1S/C17H23NO2/c1-13-10-14(2)17(15(3)11-13)20-9-5-7-18-12-16-6-4-8-19-16/h4,6,8,10-11,18H,5,7,9,12H2,1-3H3
InChIKeyNNXRNUCPMJCEQR-UHFFFAOYSA-N
XLogP3.76
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
CID 16614016
N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
CID 16614204
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 62572364
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 64853522
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 40624817
2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine
CID 60664141
3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine
CID 62598903
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine (CID 2364287) is N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine is Cc1cc(C)c(OCCCNCc2ccco2)c(C)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine?
The InChIKey is NNXRNUCPMJCEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13-10-14(2)17(15(3)11-13)20-9-5-7-18-12-16-6-4-8-19-16/h4,6,8,10-11,18H,5,7,9,12H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine?
N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine is sourced from PubChem (CID 2364287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).