N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine

C25H23F2NO — CID 137401937

IUPACN-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(F)c(OCc2ccccc2)c(C2CC2NC2CCc3ccccc32)c1
InChIInChI=1S/C25H23F2NO/c26-18-12-21(25(22(27)13-18)29-15-16-6-2-1-3-7-16)20-14-24(20)28-23-11-10-17-8-4-5-9-19(17)23/h1-9,12-13,20,23-24,28H,10-11,14-15H2
InChIKeyQAGSVRQSOUUPCU-UHFFFAOYSA-N
MW391.46 g/mol
LogP5.68
Rot. Bonds6

About N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine

N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 137401937) has the molecular formula C25H23F2NO and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID137401937
Molecular FormulaC25H23F2NO
Molecular Weight391.46 g/mol
Exact Mass391.17
IUPAC NameN-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(F)c(OCc2ccccc2)c(C2CC2NC2CCc3ccccc32)c1
InChIInChI=1S/C25H23F2NO/c26-18-12-21(25(22(27)13-18)29-15-16-6-2-1-3-7-16)20-14-24(20)28-23-11-10-17-8-4-5-9-19(17)23/h1-9,12-13,20,23-24,28H,10-11,14-15H2
InChIKeyQAGSVRQSOUUPCU-UHFFFAOYSA-N
XLogP5.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.46
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine (CID 137401937) is N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine is Fc1cc(F)c(OCc2ccccc2)c(C2CC2NC2CCc3ccccc32)c1.
What is the InChIKey of N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QAGSVRQSOUUPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NO/c26-18-12-21(25(22(27)13-18)29-15-16-6-2-1-3-7-16)20-14-24(20)28-23-11-10-17-8-4-5-9-19(17)23/h1-9,12-13,20,23-24,28H,10-11,14-15H2.
What are the key properties of N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine?
N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 391.46 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 137401937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).