N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine

C17H27FN2 — CID 103502548

IUPACN-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
SMILESCCNC(CCN1CCc2ccc(F)cc21)C(C)(C)C
InChIInChI=1S/C17H27FN2/c1-5-19-16(17(2,3)4)9-11-20-10-8-13-6-7-14(18)12-15(13)20/h6-7,12,16,19H,5,8-11H2,1-4H3
InChIKeyQLHOTIHVZFTMSF-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.60
Rot. Bonds5

About N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine

N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine (PubChem CID 103502548) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
PubChem CID103502548
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
SMILESCCNC(CCN1CCc2ccc(F)cc21)C(C)(C)C
InChIInChI=1S/C17H27FN2/c1-5-19-16(17(2,3)4)9-11-20-10-8-13-6-7-14(18)12-15(13)20/h6-7,12,16,19H,5,8-11H2,1-4H3
InChIKeyQLHOTIHVZFTMSF-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine
CID 106800163
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine
CID 103494946
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline
CID 103497312
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine
CID 103503406
methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
CID 103501861
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)butanoic acid
CID 103501912
methyl 4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)butanoate
CID 103501880
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine
CID 103497162
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline
CID 103503442
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927
2-ethoxy-4-(6-fluoro-2,3-dihydroindol-1-yl)butanoic acid
CID 103503737

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine?
The IUPAC name of N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine (CID 103502548) is N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine.
What is the SMILES notation for N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine?
The canonical SMILES for N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine is CCNC(CCN1CCc2ccc(F)cc21)C(C)(C)C.
What is the InChIKey of N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine?
The InChIKey is QLHOTIHVZFTMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-5-19-16(17(2,3)4)9-11-20-10-8-13-6-7-14(18)12-15(13)20/h6-7,12,16,19H,5,8-11H2,1-4H3.
What are the key properties of N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine?
N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine has a molecular weight of 278.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 103502548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).