(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine

C18H21FN2 — CID 81351126

IUPAC(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
SMILESC[C@H](NCc1ccc2c(c1)CCN2C)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2/c1-13(15-4-6-17(19)7-5-15)20-12-14-3-8-18-16(11-14)9-10-21(18)2/h3-8,11,13,20H,9-10,12H2,1-2H3/t13-/m0/s1
InChIKeyKXLCMEZDORZDRV-ZDUSSCGKSA-N
MW284.38 g/mol
LogP3.67
Rot. Bonds4

About (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine

(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine (PubChem CID 81351126) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
PubChem CID81351126
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
SMILESC[C@H](NCc1ccc2c(c1)CCN2C)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2/c1-13(15-4-6-17(19)7-5-15)20-12-14-3-8-18-16(11-14)9-10-21(18)2/h3-8,11,13,20H,9-10,12H2,1-2H3/t13-/m0/s1
InChIKeyKXLCMEZDORZDRV-ZDUSSCGKSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine
CID 81350665
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
CID 62096505
5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine
CID 62096489
N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 95177713
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62095975
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096658
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
CID 109380215
N'-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 40890360
1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 65047506

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine (CID 81351126) is (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine is C[C@H](NCc1ccc2c(c1)CCN2C)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?
The InChIKey is KXLCMEZDORZDRV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21FN2/c1-13(15-4-6-17(19)7-5-15)20-12-14-3-8-18-16(11-14)9-10-21(18)2/h3-8,11,13,20H,9-10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?
(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81351126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).