N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline

C17H18FNO — CID 65431409

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NCCc2ccc3c(c2)CCO3)c(F)c1
InChIInChI=1S/C17H18FNO/c1-12-2-4-16(15(18)10-12)19-8-6-13-3-5-17-14(11-13)7-9-20-17/h2-5,10-11,19H,6-9H2,1H3
InChIKeyGPSMQOXPENYMAL-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.72
Rot. Bonds4

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline (PubChem CID 65431409) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline
PubChem CID65431409
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NCCc2ccc3c(c2)CCO3)c(F)c1
InChIInChI=1S/C17H18FNO/c1-12-2-4-16(15(18)10-12)19-8-6-13-3-5-17-14(11-13)7-9-20-17/h2-5,10-11,19H,6-9H2,1H3
InChIKeyGPSMQOXPENYMAL-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,3,4-trifluoroaniline
CID 65430652
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-fluoro-2-methylaniline
CID 65431040
5-bromo-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,4-difluoroaniline
CID 102853334
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,3,5-trifluoroaniline
CID 65447108
2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline
CID 65431418
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,6-difluoroaniline
CID 65429911
4-bromo-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoroaniline
CID 65444846
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-propan-2-ylaniline
CID 65430651
2,6-dichloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline
CID 83078641
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzodioxol-5-amine
CID 65431228
2,3-dichloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 65431408

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline (CID 65431409) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline is Cc1ccc(NCCc2ccc3c(c2)CCO3)c(F)c1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline?
The InChIKey is GPSMQOXPENYMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-2-4-16(15(18)10-12)19-8-6-13-3-5-17-14(11-13)7-9-20-17/h2-5,10-11,19H,6-9H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline has a molecular weight of 271.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline is sourced from PubChem (CID 65431409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).