2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine

C12H15FN2 — CID 125482074

IUPAC2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(CC1(F)CC1)C2
InChIInChI=1S/C12H15FN2/c13-12(3-4-12)8-15-6-9-1-2-11(14)5-10(9)7-15/h1-2,5H,3-4,6-8,14H2
InChIKeyJCGUJECKTOPXGG-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.09
Rot. Bonds2

About 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine

2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine (PubChem CID 125482074) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine
PubChem CID125482074
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(CC1(F)CC1)C2
InChIInChI=1S/C12H15FN2/c13-12(3-4-12)8-15-6-9-1-2-11(14)5-10(9)7-15/h1-2,5H,3-4,6-8,14H2
InChIKeyJCGUJECKTOPXGG-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(Pyrrolidin-1-ylmethyl)aniline
CID 1096407
4-(2-(Pyrrolidin-1-yl)ethyl)aniline
CID 6487047
1-(5-amino-2,3-dihydro-1H-isoindol-2-yl)ethan-1-one
CID 20754722
4-(Pyrrolidin-1-ylmethyl)aniline
CID 776852
2-methyl-2,3-dihydro-1H-isoindol-5-amine
CID 21988160
4-(2-(Pyrrolidin-1-yl)ethyl)aniline hydrochloride
CID 24746770
2-ethyl-2,3-dihydro-1H-isoindol-5-amine
CID 24278731
2-[3-(Trifluoromethyl)phenyl]isoindoline
CID 954445
2-(1-Ethyl-4-methyl-2,3-dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660301
4-Methylindoline
CID 583703
1-Ethyl-4-methyl-2,3-dihydro-1H-indole
CID 13080895
2,3-Dihydro-1H-isoindol-5-amine
CID 14795862

Frequently Asked Questions

What is the IUPAC name of 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine (CID 125482074) is 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine is Nc1ccc2c(c1)CN(CC1(F)CC1)C2.
What is the InChIKey of 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine?
The InChIKey is JCGUJECKTOPXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c13-12(3-4-12)8-15-6-9-1-2-11(14)5-10(9)7-15/h1-2,5H,3-4,6-8,14H2.
What are the key properties of 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine?
2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine has a molecular weight of 206.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 125482074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).