4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine

C17H23NO2 — CID 16614016

IUPAC4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
SMILESCc1ccc(C)c(OCCCCNCc2ccco2)c1
InChIInChI=1S/C17H23NO2/c1-14-7-8-15(2)17(12-14)20-10-4-3-9-18-13-16-6-5-11-19-16/h5-8,11-12,18H,3-4,9-10,13H2,1-2H3
InChIKeyNICWMLGRJZQHJM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.85
Rot. Bonds8

About 4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine

4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine (PubChem CID 16614016) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
PubChem CID16614016
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
SMILESCc1ccc(C)c(OCCCCNCc2ccco2)c1
InChIInChI=1S/C17H23NO2/c1-14-7-8-15(2)17(12-14)20-10-4-3-9-18-13-16-6-5-11-19-16/h5-8,11-12,18H,3-4,9-10,13H2,1-2H3
InChIKeyNICWMLGRJZQHJM-UHFFFAOYSA-N
XLogP3.85
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.85
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

N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
CID 16614204
2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 64853522
N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine
CID 2364287
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide
CID 54783499
4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine
CID 56689586
N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
CID 54864634
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
1,4-dimethyl-2-pentoxybenzene
CID 59184214
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 104708522

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine?
The IUPAC name of 4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine (CID 16614016) is 4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine is Cc1ccc(C)c(OCCCCNCc2ccco2)c1.
What is the InChIKey of 4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine?
The InChIKey is NICWMLGRJZQHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14-7-8-15(2)17(12-14)20-10-4-3-9-18-13-16-6-5-11-19-16/h5-8,11-12,18H,3-4,9-10,13H2,1-2H3.
What are the key properties of 4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine?
4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 16614016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).