3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine

C14H21FN2 — CID 117198830

IUPAC3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
SMILESCCN1c2cccc(F)c2CC1CCCNC
InChIInChI=1S/C14H21FN2/c1-3-17-11(6-5-9-16-2)10-12-13(15)7-4-8-14(12)17/h4,7-8,11,16H,3,5-6,9-10H2,1-2H3
InChIKeyUQUYMFSCSRKUFI-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.58
Rot. Bonds5

About 3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine

3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine (PubChem CID 117198830) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
PubChem CID117198830
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
SMILESCCN1c2cccc(F)c2CC1CCCNC
InChIInChI=1S/C14H21FN2/c1-3-17-11(6-5-9-16-2)10-12-13(15)7-4-8-14(12)17/h4,7-8,11,16H,3,5-6,9-10H2,1-2H3
InChIKeyUQUYMFSCSRKUFI-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117199191
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine
CID 117198805
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
CID 117198847
N-methyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-1-amine
CID 117198098
1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol
CID 117199118
3-[1-(2-fluorophenyl)-3,4-dihydro-2,1-benzoxazin-3-yl]-N-methylpropan-1-amine
CID 143696271
(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine
CID 117198344
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one
CID 117199127
3-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117198876
2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
CID 84623961
3-[1-(2-fluorophenyl)-2,2-dihydroxy-4,2λ4,1-benzoxathiazin-3-yl]-N-methylpropan-1-amine
CID 69260040

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine (CID 117198830) is 3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine is CCN1c2cccc(F)c2CC1CCCNC.
What is the InChIKey of 3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
The InChIKey is UQUYMFSCSRKUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-17-11(6-5-9-16-2)10-12-13(15)7-4-8-14(12)17/h4,7-8,11,16H,3,5-6,9-10H2,1-2H3.
What are the key properties of 3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine?
3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 117198830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).