N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine

C17H18FNO — CID 43730188

IUPACN-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCOc1cc(F)ccc1NC1Cc2ccccc2C1
InChIInChI=1S/C17H18FNO/c1-2-20-17-11-14(18)7-8-16(17)19-15-9-12-5-3-4-6-13(12)10-15/h3-8,11,15,19H,2,9-10H2,1H3
InChIKeyAGUOIQFOUNAFBQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.80
Rot. Bonds4

About N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine

N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 43730188) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID43730188
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
SMILESCCOc1cc(F)ccc1NC1Cc2ccccc2C1
InChIInChI=1S/C17H18FNO/c1-2-20-17-11-14(18)7-8-16(17)19-15-9-12-5-3-4-6-13(12)10-15/h3-8,11,15,19H,2,9-10H2,1H3
InChIKeyAGUOIQFOUNAFBQ-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethoxy-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43787969
2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline
CID 43730168
2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline
CID 112568490
N-(2-ethoxy-4-fluorophenyl)-1,1-dioxothian-4-amine
CID 43730186
N-(2-ethoxy-4-fluorophenyl)-1-oxothian-4-amine
CID 54981381
5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348600
N-(2,4-difluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512842
N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
CID 65074721
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512844
N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43730192
2-ethoxy-4-fluoro-N-propylaniline
CID 43730181
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43764909

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine (CID 43730188) is N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine is CCOc1cc(F)ccc1NC1Cc2ccccc2C1.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is AGUOIQFOUNAFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-2-20-17-11-14(18)7-8-16(17)19-15-9-12-5-3-4-6-13(12)10-15/h3-8,11,15,19H,2,9-10H2,1H3.
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine?
N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 271.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 43730188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).