(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine

C12H17FN2 — CID 83861224

IUPAC(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
SMILESCC(C)N1CC(CN)c2cc(F)ccc21
InChIInChI=1S/C12H17FN2/c1-8(2)15-7-9(6-14)11-5-10(13)3-4-12(11)15/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyKMNMJSLMJUPXEY-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.10
Rot. Bonds2

About (5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine

(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine (PubChem CID 83861224) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is (5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
PubChem CID83861224
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
SMILESCC(C)N1CC(CN)c2cc(F)ccc21
InChIInChI=1S/C12H17FN2/c1-8(2)15-7-9(6-14)11-5-10(13)3-4-12(11)15/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyKMNMJSLMJUPXEY-UHFFFAOYSA-N
XLogP2.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine
CID 115006256
(5-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861221
(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83868804
(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine
CID 82277185
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202274
(1-ethyl-6-fluoro-2,3-dihydroindol-3-yl)methanamine
CID 82277196
O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine
CID 117201719
O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
CID 117202572
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428
(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 117200097
1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one
CID 117201707
6-methyl-1-propan-2-yl-2,3-dihydroindol-3-amine
CID 83753003

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine?
The IUPAC name of (5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine (CID 83861224) is (5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine.
What is the SMILES notation for (5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine?
The canonical SMILES for (5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine is CC(C)N1CC(CN)c2cc(F)ccc21.
What is the InChIKey of (5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine?
The InChIKey is KMNMJSLMJUPXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-8(2)15-7-9(6-14)11-5-10(13)3-4-12(11)15/h3-5,8-9H,6-7,14H2,1-2H3.
What are the key properties of (5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine?
(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine has a molecular weight of 208.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine is sourced from PubChem (CID 83861224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).