4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline

C18H21FN2 — CID 103497312

IUPAC4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline
SMILESCC(CCN1CCc2ccc(F)cc21)c1ccc(N)cc1
InChIInChI=1S/C18H21FN2/c1-13(14-3-6-17(20)7-4-14)8-10-21-11-9-15-2-5-16(19)12-18(15)21/h2-7,12-13H,8-11,20H2,1H3
InChIKeyWNBAUNQTIWCMOU-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.96
Rot. Bonds4

About 4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline

4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline (PubChem CID 103497312) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline
PubChem CID103497312
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline
SMILESCC(CCN1CCc2ccc(F)cc21)c1ccc(N)cc1
InChIInChI=1S/C18H21FN2/c1-13(14-3-6-17(20)7-4-14)8-10-21-11-9-15-2-5-16(19)12-18(15)21/h2-7,12-13H,8-11,20H2,1H3
InChIKeyWNBAUNQTIWCMOU-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
CID 103495865
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine
CID 103497162
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine
CID 103494946
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine
CID 103503406
N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
CID 103502548
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927
1-(3-chlorophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103502584
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912
3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103502567
2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid
CID 103503737
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline?
The IUPAC name of 4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline (CID 103497312) is 4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline.
What is the SMILES notation for 4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline?
The canonical SMILES for 4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline is CC(CCN1CCc2ccc(F)cc21)c1ccc(N)cc1.
What is the InChIKey of 4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline?
The InChIKey is WNBAUNQTIWCMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-13(14-3-6-17(20)7-4-14)8-10-21-11-9-15-2-5-16(19)12-18(15)21/h2-7,12-13H,8-11,20H2,1H3.
What are the key properties of 4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline?
4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline has a molecular weight of 284.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline is sourced from PubChem (CID 103497312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).