N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine

C20H22FNO — CID 45240615

IUPACN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1cccc(C2(CNC3Cc4ccccc4C3)CCOC2)c1
InChIInChI=1S/C20H22FNO/c21-18-7-3-6-17(12-18)20(8-9-23-14-20)13-22-19-10-15-4-1-2-5-16(15)11-19/h1-7,12,19,22H,8-11,13-14H2
InChIKeySTQBYTNUMPNEPG-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.24
Rot. Bonds4

About N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine

N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 45240615) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID45240615
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1cccc(C2(CNC3Cc4ccccc4C3)CCOC2)c1
InChIInChI=1S/C20H22FNO/c21-18-7-3-6-17(12-18)20(8-9-23-14-20)13-22-19-10-15-4-1-2-5-16(15)11-19/h1-7,12,19,22H,8-11,13-14H2
InChIKeySTQBYTNUMPNEPG-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]oxolan-3-amine
CID 125448466
2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid
CID 83823159
4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane
CID 45239153
4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol
CID 81130670
1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one
CID 45173361
N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65002883
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide
CID 86839214
N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-(5-methyltetrazol-1-yl)aniline
CID 29183491
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
(3R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97132822
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
CID 50959923

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine (CID 45240615) is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine is Fc1cccc(C2(CNC3Cc4ccccc4C3)CCOC2)c1.
What is the InChIKey of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is STQBYTNUMPNEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c21-18-7-3-6-17(12-18)20(8-9-23-14-20)13-22-19-10-15-4-1-2-5-16(15)11-19/h1-7,12,19,22H,8-11,13-14H2.
What are the key properties of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 311.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 45240615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).