6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine

C19H27NO3 — CID 2364400

IUPAC6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
SMILESCCOc1ccccc1OCCCCCCNCc1ccco1
InChIInChI=1S/C19H27NO3/c1-2-21-18-11-5-6-12-19(18)23-14-8-4-3-7-13-20-16-17-10-9-15-22-17/h5-6,9-12,15,20H,2-4,7-8,13-14,16H2,1H3
InChIKeyDPEGLGFTKYKHPU-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.41
Rot. Bonds12

About 6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine

6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine (PubChem CID 2364400) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
PubChem CID2364400
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
SMILESCCOc1ccccc1OCCCCCCNCc1ccco1
InChIInChI=1S/C19H27NO3/c1-2-21-18-11-5-6-12-19(18)23-14-8-4-3-7-13-20-16-17-10-9-15-22-17/h5-6,9-12,15,20H,2-4,7-8,13-14,16H2,1H3
InChIKeyDPEGLGFTKYKHPU-UHFFFAOYSA-N
XLogP4.41
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.41
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-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
CID 16614204
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N'-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809908
1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 795886
4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
CID 16614016
4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine
CID 56689586
N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54810139
N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine
CID 107844838
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline
CID 82257562
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine?
The IUPAC name of 6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine (CID 2364400) is 6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for 6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine?
The canonical SMILES for 6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine is CCOc1ccccc1OCCCCCCNCc1ccco1.
What is the InChIKey of 6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine?
The InChIKey is DPEGLGFTKYKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-2-21-18-11-5-6-12-19(18)23-14-8-4-3-7-13-20-16-17-10-9-15-22-17/h5-6,9-12,15,20H,2-4,7-8,13-14,16H2,1H3.
What are the key properties of 6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine?
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine has a molecular weight of 317.43 g/mol, XLogP of 4.41, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 2364400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).