N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine

C17H18FN — CID 81348211

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESC[C@H](NC1Cc2ccccc2C1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN/c1-12(13-6-8-16(18)9-7-13)19-17-10-14-4-2-3-5-15(14)11-17/h2-9,12,17,19H,10-11H2,1H3/t12-/m0/s1
InChIKeyYMGSWANAMPLJOB-LBPRGKRZSA-N
MW255.34 g/mol
LogP3.64
Rot. Bonds3

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine

N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 81348211) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID81348211
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESC[C@H](NC1Cc2ccccc2C1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN/c1-12(13-6-8-16(18)9-7-13)19-17-10-14-4-2-3-5-15(14)11-17/h2-9,12,17,19H,10-11H2,1H3/t12-/m0/s1
InChIKeyYMGSWANAMPLJOB-LBPRGKRZSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 54863084
N-[1-(4-fluorophenyl)-2-methylpropyl]-2,3-dihydro-1H-inden-2-amine
CID 43685519
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849957
N-[1-(4-propylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849918
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81351587
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 54000637
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 81347749
N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81353163
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
2,6-ditert-butyl-4-[1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]phenol
CID 88613087

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 81348211) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is C[C@H](NC1Cc2ccccc2C1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is YMGSWANAMPLJOB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FN/c1-12(13-6-8-16(18)9-7-13)19-17-10-14-4-2-3-5-15(14)11-17/h2-9,12,17,19H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 255.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81348211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).