2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine

C15H18ClNO — CID 62503419

IUPAC2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccoc1C
InChIInChI=1S/C15H18ClNO/c1-3-17-15(14-7-8-18-11(14)2)10-12-5-4-6-13(16)9-12/h4-9,15,17H,3,10H2,1-2H3
InChIKeyZDCOBQAVOLTJTJ-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.13
Rot. Bonds5

About 2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine

2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine (PubChem CID 62503419) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
PubChem CID62503419
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccoc1C
InChIInChI=1S/C15H18ClNO/c1-3-17-15(14-7-8-18-11(14)2)10-12-5-4-6-13(16)9-12/h4-9,15,17H,3,10H2,1-2H3
InChIKeyZDCOBQAVOLTJTJ-UHFFFAOYSA-N
XLogP4.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 63414830
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 114857001
N-[1-(2-chlorofuran-3-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 106687887
2-(3,5-difluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406974
2-(2-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 61077645
2-(3-chlorophenyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 63412584
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790179
2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 63412552
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine
CID 107945002
2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503819

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine (CID 62503419) is 2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine is CCNC(Cc1cccc(Cl)c1)c1ccoc1C.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The InChIKey is ZDCOBQAVOLTJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-3-17-15(14-7-8-18-11(14)2)10-12-5-4-6-13(16)9-12/h4-9,15,17H,3,10H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine has a molecular weight of 263.77 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 62503419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).