2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine

C18H29FN2 — CID 103502593

IUPAC2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CNC(C)C)CN1CCc2ccc(F)cc21
InChIInChI=1S/C18H29FN2/c1-5-9-18(4,12-20-14(2)3)13-21-10-8-15-6-7-16(19)11-17(15)21/h6-7,11,14,20H,5,8-10,12-13H2,1-4H3
InChIKeyZDBIYCQXKNYXKP-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.99
Rot. Bonds7

About 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine

2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 103502593) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
PubChem CID103502593
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CNC(C)C)CN1CCc2ccc(F)cc21
InChIInChI=1S/C18H29FN2/c1-5-9-18(4,12-20-14(2)3)13-21-10-8-15-6-7-16(19)11-17(15)21/h6-7,11,14,20H,5,8-10,12-13H2,1-4H3
InChIKeyZDBIYCQXKNYXKP-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide
CID 103501897
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine
CID 103494946
N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
CID 103502548
2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 103501934
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 103501908
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-2-ol
CID 103873387
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine
CID 103503406
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propylamino)propanoic acid
CID 103501858
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
CID 103501861
N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine
CID 106800163

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine (CID 103502593) is 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine is CCCC(C)(CNC(C)C)CN1CCc2ccc(F)cc21.
What is the InChIKey of 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is ZDBIYCQXKNYXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-9-18(4,12-20-14(2)3)13-21-10-8-15-6-7-16(19)11-17(15)21/h6-7,11,14,20H,5,8-10,12-13H2,1-4H3.
What are the key properties of 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine?
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 103502593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).