3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine

C14H18FN3 — CID 102365048

IUPAC3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine
SMILESNCCCC1NCCc2c1[nH]c1cc(F)ccc21
InChIInChI=1S/C14H18FN3/c15-9-3-4-10-11-5-7-17-12(2-1-6-16)14(11)18-13(10)8-9/h3-4,8,12,17-18H,1-2,5-7,16H2
InChIKeyTYVCZDWRCPMKRG-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.23
Rot. Bonds3

About 3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine

3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine (PubChem CID 102365048) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine
PubChem CID102365048
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine
SMILESNCCCC1NCCc2c1[nH]c1cc(F)ccc21
InChIInChI=1S/C14H18FN3/c15-9-3-4-10-11-5-7-17-12(2-1-6-16)14(11)18-13(10)8-9/h3-4,8,12,17-18H,1-2,5-7,16H2
InChIKeyTYVCZDWRCPMKRG-UHFFFAOYSA-N
XLogP2.23
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine?
The IUPAC name of 3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine (CID 102365048) is 3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine?
The canonical SMILES for 3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine is NCCCC1NCCc2c1[nH]c1cc(F)ccc21.
What is the InChIKey of 3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine?
The InChIKey is TYVCZDWRCPMKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c15-9-3-4-10-11-5-7-17-12(2-1-6-16)14(11)18-13(10)8-9/h3-4,8,12,17-18H,1-2,5-7,16H2.
What are the key properties of 3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine?
3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine is sourced from PubChem (CID 102365048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).