2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

C18H27FN2 — CID 103502585

IUPAC2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CN2CCc3ccc(F)cc32)C1
InChIInChI=1S/C18H27FN2/c1-12(2)14-4-6-17(20)15(9-14)11-21-8-7-13-3-5-16(19)10-18(13)21/h3,5,10,12,14-15,17H,4,6-9,11,20H2,1-2H3
InChIKeyNJZDDSNXJSHSQX-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.59
Rot. Bonds3

About 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 103502585) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID103502585
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CN2CCc3ccc(F)cc32)C1
InChIInChI=1S/C18H27FN2/c1-12(2)14-4-6-17(20)15(9-14)11-21-8-7-13-3-5-16(19)10-18(13)21/h3,5,10,12,14-15,17H,4,6-9,11,20H2,1-2H3
InChIKeyNJZDDSNXJSHSQX-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propylcyclohexan-1-amine
CID 103502594
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexan-1-amine
CID 103497070
1-cyclopentyl-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494909
2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102616757
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol
CID 63495850
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-methyloxolan-3-amine
CID 103497186
[1-(6-fluoro-2,3-dihydroindol-1-yl)-3-propan-2-ylcyclohexyl]methanamine
CID 107449256
2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81013651
4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline
CID 103497312
2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 55208973

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 103502585) is 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(CN2CCc3ccc(F)cc32)C1.
What is the InChIKey of 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is NJZDDSNXJSHSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-12(2)14-4-6-17(20)15(9-14)11-21-8-7-13-3-5-16(19)10-18(13)21/h3,5,10,12,14-15,17H,4,6-9,11,20H2,1-2H3.
What are the key properties of 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.59, 3 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]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 103502585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).