N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine

C16H21FN2 — CID 82791538

IUPACN-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine
SMILESFc1cccc2c1ccn2CCNCC1CCCC1
InChIInChI=1S/C16H21FN2/c17-15-6-3-7-16-14(15)8-10-19(16)11-9-18-12-13-4-1-2-5-13/h3,6-8,10,13,18H,1-2,4-5,9,11-12H2
InChIKeyPOJQEVWYBKVQLG-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.56
Rot. Bonds5

About N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine

N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine (PubChem CID 82791538) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine
PubChem CID82791538
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC NameN-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine
SMILESFc1cccc2c1ccn2CCNCC1CCCC1
InChIInChI=1S/C16H21FN2/c17-15-6-3-7-16-14(15)8-10-19(16)11-9-18-12-13-4-1-2-5-13/h3,6-8,10,13,18H,1-2,4-5,9,11-12H2
InChIKeyPOJQEVWYBKVQLG-UHFFFAOYSA-N
XLogP3.56
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine
CID 63504513
2-(4-fluoroindol-1-yl)-N-(2-methoxyethyl)ethanamine
CID 82792809
N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine
CID 82791993
N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine
CID 82793147
4-fluoro-1-(2-piperidin-3-ylethyl)indole
CID 82792919
N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 82793032
2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62562885
4-fluoro-1-(2-pyrazol-1-ylethyl)indole
CID 82794921
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine
CID 43370931
N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine
CID 82793034
3-(4-fluoroindol-1-yl)-N-propylpropan-1-amine
CID 82791789
4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole
CID 82792591

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine (CID 82791538) is N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine is Fc1cccc2c1ccn2CCNCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine?
The InChIKey is POJQEVWYBKVQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c17-15-6-3-7-16-14(15)8-10-19(16)11-9-18-12-13-4-1-2-5-13/h3,6-8,10,13,18H,1-2,4-5,9,11-12H2.
What are the key properties of N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine?
N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine has a molecular weight of 260.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine is sourced from PubChem (CID 82791538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).