N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

C18H26FN — CID 83065498

IUPACN-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCC1CCC(CNC2CCc3c(F)cccc32)CC1
InChIInChI=1S/C18H26FN/c1-2-13-6-8-14(9-7-13)12-20-18-11-10-15-16(18)4-3-5-17(15)19/h3-5,13-14,18,20H,2,6-12H2,1H3
InChIKeyVWXXQYXVRAPUKZ-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.62
Rot. Bonds4

About N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 83065498) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID83065498
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCC1CCC(CNC2CCc3c(F)cccc32)CC1
InChIInChI=1S/C18H26FN/c1-2-13-6-8-14(9-7-13)12-20-18-11-10-15-16(18)4-3-5-17(15)19/h3-5,13-14,18,20H,2,6-12H2,1H3
InChIKeyVWXXQYXVRAPUKZ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Rasagiline
CID 3052776
(1S)-2,3-Dihydro-N-2-propyn-1-yl-1H-inden-1-amine
CID 5289310
Dimefadane
CID 21760
N-methyl-2,3-dihydro-1H-inden-1-amine
CID 16774798
N-Methyl-1(R)-aminoindan
CID 5494442
[18F]fluororasagiline
CID 57328315
Racemic rasagiline
CID 122316
1-(9H-Fluoren-9-yl)piperazine
CID 410205
N-(1-phenylpropan-2-yl)tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-amine
CID 56661208
Dimefadane hydrochloride
CID 517910
4-[3-(4-Fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10246528
1-[3-(4-Fluoro-phenyl)-6-methyl-indan-1-yl]-3,3-dimethyl-piperazine
CID 10617001

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 83065498) is N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is CCC1CCC(CNC2CCc3c(F)cccc32)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VWXXQYXVRAPUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c1-2-13-6-8-14(9-7-13)12-20-18-11-10-15-16(18)4-3-5-17(15)19/h3-5,13-14,18,20H,2,6-12H2,1H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 275.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83065498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).