(1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine

C18H18FNO — CID 81353159

IUPAC(1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1cccc(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C18H18FNO/c1-12(14-7-5-8-16(19)10-14)20-13(2)18-11-15-6-3-4-9-17(15)21-18/h3-13,20H,1-2H3/t12-,13?/m0/s1
InChIKeyYUACBCOQZGPDPC-UEWDXFNNSA-N
MW283.35 g/mol
LogP4.98
Rot. Bonds4

About (1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine

(1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 81353159) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine
PubChem CID81353159
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1cccc(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C18H18FNO/c1-12(14-7-5-8-16(19)10-14)20-13(2)18-11-15-6-3-4-9-17(15)21-18/h3-13,20H,1-2H3/t12-,13?/m0/s1
InChIKeyYUACBCOQZGPDPC-UEWDXFNNSA-N
XLogP4.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43205961
N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline
CID 43194276
1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-methylguanidine;hydroiodide
CID 119133304
1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905207
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
CID 103784129
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
1-(1-benzofuran-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43722038
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
N-[(1S)-1-(3-fluorophenyl)ethyl]but-3-yn-2-amine
CID 104865323

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine (CID 81353159) is (1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine is CC(N[C@@H](C)c1cccc(F)c1)c1cc2ccccc2o1.
What is the InChIKey of (1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is YUACBCOQZGPDPC-UEWDXFNNSA-N. The full InChI is InChI=1S/C18H18FNO/c1-12(14-7-5-8-16(19)10-14)20-13(2)18-11-15-6-3-4-9-17(15)21-18/h3-13,20H,1-2H3/t12-,13?/m0/s1.
What are the key properties of (1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
(1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 283.35 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 81353159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).