(3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine

C24H28F2N2O2 — CID 25138902

IUPAC(3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(OC)c2C1
InChIInChI=1S/C24H28F2N2O2/c1-3-10-28(11-4-5-16-14-27-22-8-6-17(25)12-19(16)22)18-13-20-23(29-2)9-7-21(26)24(20)30-15-18/h6-9,12,14,18,27H,3-5,10-11,13,15H2,1-2H3/t18-/m0/s1
InChIKeyJEIPZRACKXFYIK-SFHVURJKSA-N
MW414.50 g/mol
LogP5.10
Rot. Bonds8

About (3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine

(3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 25138902) has the molecular formula C24H28F2N2O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is (3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID25138902
Molecular FormulaC24H28F2N2O2
Molecular Weight414.50 g/mol
Exact Mass414.21
IUPAC Name(3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(OC)c2C1
InChIInChI=1S/C24H28F2N2O2/c1-3-10-28(11-4-5-16-14-27-22-8-6-17(25)12-19(16)22)18-13-20-23(29-2)9-7-21(26)24(20)30-15-18/h6-9,12,14,18,27H,3-5,10-11,13,15H2,1-2H3/t18-/m0/s1
InChIKeyJEIPZRACKXFYIK-SFHVURJKSA-N
XLogP5.10
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine (CID 25138902) is (3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine is CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(OC)c2C1.
What is the InChIKey of (3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is JEIPZRACKXFYIK-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28F2N2O2/c1-3-10-28(11-4-5-16-14-27-22-8-6-17(25)12-19(16)22)18-13-20-23(29-2)9-7-21(26)24(20)30-15-18/h6-9,12,14,18,27H,3-5,10-11,13,15H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine?
(3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 414.50 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 25138902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).