3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine

C19H21FN2 — CID 170878721

IUPAC3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine
SMILESCc1c(CCCN)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C19H21FN2/c1-14-16(9-6-12-21)17-8-3-5-11-19(17)22(14)13-15-7-2-4-10-18(15)20/h2-5,7-8,10-11H,6,9,12-13,21H2,1H3
InChIKeyWRVIORQSYOUWSW-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.03
Rot. Bonds5

About 3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine

3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine (PubChem CID 170878721) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine
PubChem CID170878721
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine
SMILESCc1c(CCCN)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C19H21FN2/c1-14-16(9-6-12-21)17-8-3-5-11-19(17)22(14)13-15-7-2-4-10-18(15)20/h2-5,7-8,10-11H,6,9,12-13,21H2,1H3
InChIKeyWRVIORQSYOUWSW-UHFFFAOYSA-N
XLogP4.03
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 170868396
CID 163999461
CID 163999461
3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine
CID 170868097
2,6-dimethyl-3-[(2-methyl-3-propylindol-1-yl)methyl]aniline
CID 166823066
2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide
CID 54594673
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-(4-fluorophenyl)ethanamine
CID 17158091
2-(1-hydroxy-2-methylindol-3-yl)ethanamine
CID 174625150
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-1-amine
CID 17157200
1-[(2-fluorophenyl)methyl]-3-(propylaminomethyl)indole-2-carboxylic acid
CID 53207040
3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170866943
10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
CID 45031572
2-(2-methyl-1-phenylindol-3-yl)ethanamine
CID 744625

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine (CID 170878721) is 3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine is Cc1c(CCCN)c2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine?
The InChIKey is WRVIORQSYOUWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c1-14-16(9-6-12-21)17-8-3-5-11-19(17)22(14)13-15-7-2-4-10-18(15)20/h2-5,7-8,10-11H,6,9,12-13,21H2,1H3.
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine?
3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine has a molecular weight of 296.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine is sourced from PubChem (CID 170878721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).