(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine

C15H21FN2 — CID 140660880

IUPAC(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
SMILESCC(CF)C(N)[C@H](C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H21FN2/c1-10(15(17)11(2)8-16)7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9-11,15,18H,7-8,17H2,1-2H3/t10-,11?,15?/m1/s1
InChIKeyDTUSOBZOQTXMMK-RWWNRMGGSA-N
MW248.34 g/mol
LogP3.28
Rot. Bonds5

About (4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine

(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine (PubChem CID 140660880) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is (4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
PubChem CID140660880
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
SMILESCC(CF)C(N)[C@H](C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H21FN2/c1-10(15(17)11(2)8-16)7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9-11,15,18H,7-8,17H2,1-2H3/t10-,11?,15?/m1/s1
InChIKeyDTUSOBZOQTXMMK-RWWNRMGGSA-N
XLogP3.28
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
3-(2-fluoropropyl)-1H-indole
CID 142409179
CID 90360713
CID 90360713
1-(1H-indol-3-yl)butan-2-amine
CID 8367
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
CID 143255366
2-fluoro-3-(1H-indol-3-yl)propan-1-amine
CID 134163133
(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823
1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine
CID 130443458
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411

Frequently Asked Questions

What is the IUPAC name of (4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine?
The IUPAC name of (4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine (CID 140660880) is (4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine.
What is the SMILES notation for (4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine?
The canonical SMILES for (4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine is CC(CF)C(N)[C@H](C)Cc1c[nH]c2ccccc12.
What is the InChIKey of (4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine?
The InChIKey is DTUSOBZOQTXMMK-RWWNRMGGSA-N. The full InChI is InChI=1S/C15H21FN2/c1-10(15(17)11(2)8-16)7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9-11,15,18H,7-8,17H2,1-2H3/t10-,11?,15?/m1/s1.
What are the key properties of (4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine?
(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine has a molecular weight of 248.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine is sourced from PubChem (CID 140660880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).