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

C18H20FN — CID 115708061

IUPACN-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(Cc1cccc(F)c1)NC1CCc2ccccc21
InChIInChI=1S/C18H20FN/c1-13(11-14-5-4-7-16(19)12-14)20-18-10-9-15-6-2-3-8-17(15)18/h2-8,12-13,18,20H,9-11H2,1H3
InChIKeyHHWQRQNPMPDSQQ-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.03
Rot. Bonds4

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

N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 115708061) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine
PubChem CID115708061
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(Cc1cccc(F)c1)NC1CCc2ccccc21
InChIInChI=1S/C18H20FN/c1-13(11-14-5-4-7-16(19)12-14)20-18-10-9-15-6-2-3-8-17(15)18/h2-8,12-13,18,20H,9-11H2,1H3
InChIKeyHHWQRQNPMPDSQQ-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115721717
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(3-fluorophenyl)propanamide
CID 42883500
N-[(1S)-1-(3-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 81353260
N-[1-(3-fluorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 114830841
5-fluoro-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115889805
5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890485
N-nonan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 43129999
N-[1-(3-fluorophenyl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114830677
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43204034

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine (CID 115708061) is N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine is CC(Cc1cccc(F)c1)NC1CCc2ccccc21.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HHWQRQNPMPDSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-13(11-14-5-4-7-16(19)12-14)20-18-10-9-15-6-2-3-8-17(15)18/h2-8,12-13,18,20H,9-11H2,1H3.
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine?
N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 269.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115708061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).