1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine

C16H23NO — CID 102653664

IUPAC1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
SMILESCCNC(CCc1cccc(C)c1)C1=CCCO1
InChIInChI=1S/C16H23NO/c1-3-17-15(16-8-5-11-18-16)10-9-14-7-4-6-13(2)12-14/h4,6-8,12,15,17H,3,5,9-11H2,1-2H3
InChIKeyZCOWPYHNMIADPM-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.21
Rot. Bonds6

About 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine

1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine (PubChem CID 102653664) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
PubChem CID102653664
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
SMILESCCNC(CCc1cccc(C)c1)C1=CCCO1
InChIInChI=1S/C16H23NO/c1-3-17-15(16-8-5-11-18-16)10-9-14-7-4-6-13(2)12-14/h4,6-8,12,15,17H,3,5,9-11H2,1-2H3
InChIKeyZCOWPYHNMIADPM-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 102653662
1-(2,3-dihydrofuran-5-yl)-2-(3-methylphenyl)ethanol
CID 102653915
1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
CID 102653271
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102651729
N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104810
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 102653559
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 106648197
N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 102651437
N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 105104098
N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine
CID 105108675
1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 102647764
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 102653265

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine (CID 102653664) is 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine is CCNC(CCc1cccc(C)c1)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine?
The InChIKey is ZCOWPYHNMIADPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-17-15(16-8-5-11-18-16)10-9-14-7-4-6-13(2)12-14/h4,6-8,12,15,17H,3,5,9-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine?
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 102653664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).