2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine

C17H18F2N2 — CID 63784738

IUPAC2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
SMILESCC1Cc2ccccc2N1c1c(F)cc(CCN)cc1F
InChIInChI=1S/C17H18F2N2/c1-11-8-13-4-2-3-5-16(13)21(11)17-14(18)9-12(6-7-20)10-15(17)19/h2-5,9-11H,6-8,20H2,1H3
InChIKeyWULPDQDXCSLUCD-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.55
Rot. Bonds3

About 2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine

2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine (PubChem CID 63784738) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
PubChem CID63784738
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
SMILESCC1Cc2ccccc2N1c1c(F)cc(CCN)cc1F
InChIInChI=1S/C17H18F2N2/c1-11-8-13-4-2-3-5-16(13)21(11)17-14(18)9-12(6-7-20)10-15(17)19/h2-5,9-11H,6-8,20H2,1H3
InChIKeyWULPDQDXCSLUCD-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzenecarbothioamide
CID 81286903
3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde
CID 63051201
2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 63784913
[2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107932681
2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 106532388
4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline
CID 55067818
2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 81159180
[2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107274667
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline
CID 64769040
2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55387468
(1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 78939271
2-(1-ethyl-2-methyl-2,3-dihydroindol-6-yl)ethanamine
CID 117203608

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine (CID 63784738) is 2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine is CC1Cc2ccccc2N1c1c(F)cc(CCN)cc1F.
What is the InChIKey of 2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The InChIKey is WULPDQDXCSLUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c1-11-8-13-4-2-3-5-16(13)21(11)17-14(18)9-12(6-7-20)10-15(17)19/h2-5,9-11H,6-8,20H2,1H3.
What are the key properties of 2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine?
2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine has a molecular weight of 288.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63784738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).