1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride

C12H16ClFN2 — CID 86018044

IUPAC1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1c[nH]c2cc(F)ccc12.Cl
InChIInChI=1S/C12H15FN2.ClH/c1-2-10(14)5-8-7-15-12-6-9(13)3-4-11(8)12;/h3-4,6-7,10,15H,2,5,14H2,1H3;1H
InChIKeyHGEQIYMDPOFWFU-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.01
Rot. Bonds3

About 1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride

1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride (PubChem CID 86018044) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride
PubChem CID86018044
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1c[nH]c2cc(F)ccc12.Cl
InChIInChI=1S/C12H15FN2.ClH/c1-2-10(14)5-8-7-15-12-6-9(13)3-4-11(8)12;/h3-4,6-7,10,15H,2,5,14H2,1H3;1H
InChIKeyHGEQIYMDPOFWFU-UHFFFAOYSA-N
XLogP3.01
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
1-(1H-indol-3-yl)butan-2-amine
CID 8367
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-methoxypropanoic acid
CID 167015185
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
4-amino-2-[(6-fluoro-1H-indol-3-yl)methyl]butanoic acid
CID 139519329
methyl 2-[(2-amino-3-methoxypropanoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoate
CID 120991876
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid
CID 68979143
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride (CID 86018044) is 1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride is CCC(N)Cc1c[nH]c2cc(F)ccc12.Cl.
What is the InChIKey of 1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride?
The InChIKey is HGEQIYMDPOFWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2.ClH/c1-2-10(14)5-8-7-15-12-6-9(13)3-4-11(8)12;/h3-4,6-7,10,15H,2,5,14H2,1H3;1H.
What are the key properties of 1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride?
1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride has a molecular weight of 242.72 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride is sourced from PubChem (CID 86018044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).