(7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine

C12H15FN2 — CID 105459047

IUPAC(7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
SMILESNCC1CCN2c3cc(F)ccc3CC12
InChIInChI=1S/C12H15FN2/c13-10-2-1-8-5-11-9(7-14)3-4-15(11)12(8)6-10/h1-2,6,9,11H,3-5,7,14H2
InChIKeyMTFLTYJMMSXXSQ-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.54
Rot. Bonds1

About (7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine

(7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine (PubChem CID 105459047) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is (7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine.

Molecular Properties

Compound Name(7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
PubChem CID105459047
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name(7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
SMILESNCC1CCN2c3cc(F)ccc3CC12
InChIInChI=1S/C12H15FN2/c13-10-2-1-8-5-11-9(7-14)3-4-15(11)12(8)6-10/h1-2,6,9,11H,3-5,7,14H2
InChIKeyMTFLTYJMMSXXSQ-UHFFFAOYSA-N
XLogP1.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105476002
[1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 70084109
1-[2-(aminomethyl)cyclopentyl]-7-fluoro-3,4-dihydroquinolin-2-one
CID 43428617
(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine
CID 105494822
4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol
CID 105491505
(9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)methanamine
CID 105476033
[2-(aminomethyl)cyclopentyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103822177
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine
CID 82411355
[1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine
CID 114075932
2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile
CID 103495571
4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol
CID 103495845
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine?
The IUPAC name of (7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine (CID 105459047) is (7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine.
What is the SMILES notation for (7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine?
The canonical SMILES for (7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine is NCC1CCN2c3cc(F)ccc3CC12.
What is the InChIKey of (7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine?
The InChIKey is MTFLTYJMMSXXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c13-10-2-1-8-5-11-9(7-14)3-4-15(11)12(8)6-10/h1-2,6,9,11H,3-5,7,14H2.
What are the key properties of (7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine?
(7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine has a molecular weight of 206.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine is sourced from PubChem (CID 105459047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).