1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine

C17H18ClFN2 — CID 103494129

IUPAC1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine
SMILESCC(N)C(c1cccc(Cl)c1)N1CCc2ccc(F)cc21
InChIInChI=1S/C17H18ClFN2/c1-11(20)17(13-3-2-4-14(18)9-13)21-8-7-12-5-6-15(19)10-16(12)21/h2-6,9-11,17H,7-8,20H2,1H3
InChIKeyABDHDYNWOBJZIE-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.93
Rot. Bonds3

About 1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine

1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine (PubChem CID 103494129) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine
PubChem CID103494129
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine
SMILESCC(N)C(c1cccc(Cl)c1)N1CCc2ccc(F)cc21
InChIInChI=1S/C17H18ClFN2/c1-11(20)17(13-3-2-4-14(18)9-13)21-8-7-12-5-6-15(19)10-16(12)21/h2-6,9-11,17H,7-8,20H2,1H3
InChIKeyABDHDYNWOBJZIE-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103502584
2-(2,6-dichlorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494477
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine
CID 103494158
1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine
CID 55019457
1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine
CID 103494115
2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103827394
(1S,2R)-1-(5-chloro-2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 45139964
2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine
CID 103503159
(1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496697
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbutanoic acid
CID 103498081
(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496814

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine (CID 103494129) is 1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine is CC(N)C(c1cccc(Cl)c1)N1CCc2ccc(F)cc21.
What is the InChIKey of 1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine?
The InChIKey is ABDHDYNWOBJZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c1-11(20)17(13-3-2-4-14(18)9-13)21-8-7-12-5-6-15(19)10-16(12)21/h2-6,9-11,17H,7-8,20H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine?
1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine has a molecular weight of 304.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine is sourced from PubChem (CID 103494129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).