3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine

C18H19FN2 — CID 170867983

IUPAC3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine
SMILESNCCCc1ccc2c(ccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2/c19-17-6-3-15(4-7-17)13-21-11-9-16-12-14(2-1-10-20)5-8-18(16)21/h3-9,11-12H,1-2,10,13,20H2
InChIKeyZGLCULHLZGBEGC-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.72
Rot. Bonds5

About 3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine

3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine (PubChem CID 170867983) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine
PubChem CID170867983
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine
SMILESNCCCc1ccc2c(ccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2/c19-17-6-3-15(4-7-17)13-21-11-9-16-12-14(2-1-10-20)5-8-18(16)21/h3-9,11-12H,1-2,10,13,20H2
InChIKeyZGLCULHLZGBEGC-UHFFFAOYSA-N
XLogP3.72
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidenehydrazine
CID 168530528
[4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine
CID 63850276
[1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine
CID 79709523
2-(1-benzylindol-5-yl)ethanethiol
CID 143923933
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
4-[1-[(4-fluorophenyl)methyl]indol-5-yl]-3-methylbut-2-enoic acid
CID 67753951
2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine
CID 168592291
2-bromo-5-[(5-fluoroindol-1-yl)methyl]aniline
CID 115557370
[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol
CID 102912443
1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole
CID 11292068
[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine
CID 83968569
1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
CID 142911235

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine (CID 170867983) is 3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine is NCCCc1ccc2c(ccn2Cc2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine?
The InChIKey is ZGLCULHLZGBEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c19-17-6-3-15(4-7-17)13-21-11-9-16-12-14(2-1-10-20)5-8-18(16)21/h3-9,11-12H,1-2,10,13,20H2.
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine?
3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine has a molecular weight of 282.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine is sourced from PubChem (CID 170867983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).