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

C14H21FN2 — CID 115006247

IUPAC3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
SMILESCC(C)N1c2ccc(F)cc2CC1CCCN
InChIInChI=1S/C14H21FN2/c1-10(2)17-13(4-3-7-16)9-11-8-12(15)5-6-14(11)17/h5-6,8,10,13H,3-4,7,9,16H2,1-2H3
InChIKeyXDVLCUVRMARMCY-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.70
Rot. Bonds4

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

3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine (PubChem CID 115006247) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
PubChem CID115006247
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
SMILESCC(C)N1c2ccc(F)cc2CC1CCCN
InChIInChI=1S/C14H21FN2/c1-10(2)17-13(4-3-7-16)9-11-8-12(15)5-6-14(11)17/h5-6,8,10,13H,3-4,7,9,16H2,1-2H3
InChIKeyXDVLCUVRMARMCY-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201227
3-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201218
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201536
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid
CID 117201252
2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid
CID 83870307
O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine
CID 117201497
3-(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117201259
N-methyl-1-(5-methyl-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117200838
(2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 139326429
(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861224
(2R)-7-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 163270361
2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid
CID 117201234

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine (CID 115006247) is 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine is CC(C)N1c2ccc(F)cc2CC1CCCN.
What is the InChIKey of 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine?
The InChIKey is XDVLCUVRMARMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10(2)17-13(4-3-7-16)9-11-8-12(15)5-6-14(11)17/h5-6,8,10,13H,3-4,7,9,16H2,1-2H3.
What are the key properties of 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine?
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine is sourced from PubChem (CID 115006247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).