(4-fluoro-1-propan-2-ylindol-3-yl)methanamine

C12H15FN2 — CID 117119687

IUPAC(4-fluoro-1-propan-2-ylindol-3-yl)methanamine
SMILESCC(C)n1cc(CN)c2c(F)cccc21
InChIInChI=1S/C12H15FN2/c1-8(2)15-7-9(6-14)12-10(13)4-3-5-11(12)15/h3-5,7-8H,6,14H2,1-2H3
InChIKeyLNMMVUBYQIPWNX-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.82
Rot. Bonds2

About (4-fluoro-1-propan-2-ylindol-3-yl)methanamine

(4-fluoro-1-propan-2-ylindol-3-yl)methanamine (PubChem CID 117119687) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is (4-fluoro-1-propan-2-ylindol-3-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-1-propan-2-ylindol-3-yl)methanamine
PubChem CID117119687
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name(4-fluoro-1-propan-2-ylindol-3-yl)methanamine
SMILESCC(C)n1cc(CN)c2c(F)cccc21
InChIInChI=1S/C12H15FN2/c1-8(2)15-7-9(6-14)12-10(13)4-3-5-11(12)15/h3-5,7-8H,6,14H2,1-2H3
InChIKeyLNMMVUBYQIPWNX-UHFFFAOYSA-N
XLogP2.82
TPSA30.95 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole
CID 117172053
4-fluoro-3-(methylsulfonylmethyl)-1-propan-2-ylindole
CID 117171819
3-(4-fluoro-1-propan-2-ylindol-3-yl)propanoic acid
CID 117119748
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-4-yl]methanamine
CID 117171620
4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171977
2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine
CID 117119694
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
3-(ethylsulfonylmethyl)-1-propan-2-ylindol-4-amine
CID 117171814
3-(2-aminopropyl)-1-propan-2-ylindol-4-ol
CID 83918695
1-(4-bromo-1-propan-2-ylindol-3-yl)propan-2-amine
CID 117119705
N,N-dimethyl-1-(4-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 117184616
(6-chloro-1-propan-2-ylindol-3-yl)methanamine
CID 117122224

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-propan-2-ylindol-3-yl)methanamine?
The IUPAC name of (4-fluoro-1-propan-2-ylindol-3-yl)methanamine (CID 117119687) is (4-fluoro-1-propan-2-ylindol-3-yl)methanamine.
What is the SMILES notation for (4-fluoro-1-propan-2-ylindol-3-yl)methanamine?
The canonical SMILES for (4-fluoro-1-propan-2-ylindol-3-yl)methanamine is CC(C)n1cc(CN)c2c(F)cccc21.
What is the InChIKey of (4-fluoro-1-propan-2-ylindol-3-yl)methanamine?
The InChIKey is LNMMVUBYQIPWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-8(2)15-7-9(6-14)12-10(13)4-3-5-11(12)15/h3-5,7-8H,6,14H2,1-2H3.
What are the key properties of (4-fluoro-1-propan-2-ylindol-3-yl)methanamine?
(4-fluoro-1-propan-2-ylindol-3-yl)methanamine has a molecular weight of 206.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-propan-2-ylindol-3-yl)methanamine is sourced from PubChem (CID 117119687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).