4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine

C19H21FN2 — CID 4546289

IUPAC4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
SMILESCc1cccc2c(CCCCN)c(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C19H21FN2/c1-13-5-4-7-16-17(6-2-3-12-21)19(22-18(13)16)14-8-10-15(20)11-9-14/h4-5,7-11,22H,2-3,6,12,21H2,1H3
InChIKeyYSXLXQYYIAHKFH-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.56
Rot. Bonds5

About 4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine

4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine (PubChem CID 4546289) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
PubChem CID4546289
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
SMILESCc1cccc2c(CCCCN)c(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C19H21FN2/c1-13-5-4-7-16-17(6-2-3-12-21)19(22-18(13)16)14-8-10-15(20)11-9-14/h4-5,7-11,22H,2-3,6,12,21H2,1H3
InChIKeyYSXLXQYYIAHKFH-UHFFFAOYSA-N
XLogP4.56
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3458945
4-[5-chloro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3574598
4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3946658
4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
CID 5160195
3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propanoic acid
CID 171921907
4-[6-chloro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 5165758
4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3895862
4-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4603225
4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4214505
4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5034856
4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5138431
4-[2-(4-tert-butylphenyl)-7-chloro-1H-indol-3-yl]butan-1-amine
CID 4574426

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine (CID 4546289) is 4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine is Cc1cccc2c(CCCCN)c(-c3ccc(F)cc3)[nH]c12.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine?
The InChIKey is YSXLXQYYIAHKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c1-13-5-4-7-16-17(6-2-3-12-21)19(22-18(13)16)14-8-10-15(20)11-9-14/h4-5,7-11,22H,2-3,6,12,21H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine?
4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine has a molecular weight of 296.39 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 4546289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).