(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine

C17H18FNO — CID 81365243

IUPAC(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine
SMILESC[C@H](NCc1ccc2c(c1)CCO2)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-12(14-3-2-4-16(18)10-14)19-11-13-5-6-17-15(9-13)7-8-20-17/h2-6,9-10,12,19H,7-8,11H2,1H3/t12-/m0/s1
InChIKeyWDYZQTSUIRRHIR-LBPRGKRZSA-N
MW271.33 g/mol
LogP3.61
Rot. Bonds4

About (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine

(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine (PubChem CID 81365243) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine
PubChem CID81365243
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine
SMILESC[C@H](NCc1ccc2c(c1)CCO2)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-12(14-3-2-4-16(18)10-14)19-11-13-5-6-17-15(9-13)7-8-20-17/h2-6,9-10,12,19H,7-8,11H2,1H3/t12-/m0/s1
InChIKeyWDYZQTSUIRRHIR-LBPRGKRZSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81352058
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 60945047
1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804303
(1R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 94531089
1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804139
1-[3-[(1R)-1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 95149643
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-thiophen-2-ylethanamine
CID 81398895
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine
CID 65447215
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 43583718
(1S)-1-(3-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 28643531
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 78978115

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine (CID 81365243) is (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine is C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(F)c1.
What is the InChIKey of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is WDYZQTSUIRRHIR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12(14-3-2-4-16(18)10-14)19-11-13-5-6-17-15(9-13)7-8-20-17/h2-6,9-10,12,19H,7-8,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine?
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine has a molecular weight of 271.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 81365243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).