N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine

C19H27NO2 — CID 161436362

IUPACN,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine
SMILESCCN(CC)CCCCOc1ccc(C=C2CC=CO2)cc1
InChIInChI=1S/C19H27NO2/c1-3-20(4-2)13-5-6-14-21-18-11-9-17(10-12-18)16-19-8-7-15-22-19/h7,9-12,15-16H,3-6,8,13-14H2,1-2H3
InChIKeyVYRSRWJLCHGLPO-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.46
Rot. Bonds9

About N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine

N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine (PubChem CID 161436362) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine
PubChem CID161436362
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine
SMILESCCN(CC)CCCCOc1ccc(C=C2CC=CO2)cc1
InChIInChI=1S/C19H27NO2/c1-3-20(4-2)13-5-6-14-21-18-11-9-17(10-12-18)16-19-8-7-15-22-19/h7,9-12,15-16H,3-6,8,13-14H2,1-2H3
InChIKeyVYRSRWJLCHGLPO-UHFFFAOYSA-N
XLogP4.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
CID 46890082
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327
N,N-diethyl-3-[(3Z)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]pyrrolidin-1-yl]propan-1-amine
CID 15516928
(NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine
CID 97356315
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118
(E)-1-[4-[4-(diethylamino)butoxy]-2,6-dihydroxyphenyl]-3-[4-[4-(diethylamino)butoxy]phenyl]prop-2-en-1-one
CID 162665033
(E)-1-[4-[6-(diethylamino)hexoxy]-2-hydroxyphenyl]-3-[4-[6-(diethylamino)hexoxy]phenyl]prop-2-en-1-one
CID 155510534
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969
N,N-dibutyl-10-[4-(diethylaminomethyl)phenoxy]decan-1-amine
CID 46890174
N,N-dibutyl-6-[4-(diethylaminomethyl)phenoxy]hexan-1-amine
CID 46890024
N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine
CID 101457870

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine?
The IUPAC name of N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine (CID 161436362) is N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine.
What is the SMILES notation for N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine?
The canonical SMILES for N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine is CCN(CC)CCCCOc1ccc(C=C2CC=CO2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine?
The InChIKey is VYRSRWJLCHGLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-3-20(4-2)13-5-6-14-21-18-11-9-17(10-12-18)16-19-8-7-15-22-19/h7,9-12,15-16H,3-6,8,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine?
N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine has a molecular weight of 301.43 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-(3H-furan-2-ylidenemethyl)phenoxy]butan-1-amine is sourced from PubChem (CID 161436362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).