(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride

C11H14ClFN2 — CID 171225183

IUPAC(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
SMILESCl.N[C@@H](CCF)c1ccc2cc[nH]c2c1
InChIInChI=1S/C11H13FN2.ClH/c12-5-3-10(13)9-2-1-8-4-6-14-11(8)7-9;/h1-2,4,6-7,10,14H,3,5,13H2;1H/t10-;/m0./s1
InChIKeyZNDMUBOJCSCZSY-PPHPATTJSA-N
MW228.70 g/mol
LogP2.95
Rot. Bonds3

About (1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride

(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride (PubChem CID 171225183) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is (1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
PubChem CID171225183
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
SMILESCl.N[C@@H](CCF)c1ccc2cc[nH]c2c1
InChIInChI=1S/C11H13FN2.ClH/c12-5-3-10(13)9-2-1-8-4-6-14-11(8)7-9;/h1-2,4,6-7,10,14H,3,5,13H2;1H/t10-;/m0./s1
InChIKeyZNDMUBOJCSCZSY-PPHPATTJSA-N
XLogP2.95
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-6-yl)propane-1,3-diamine
CID 131197541
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
CID 171225201
(1S)-1-(1H-indol-6-yl)pentan-1-amine
CID 171225173
(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine
CID 131447167
(1S)-1-(1H-indol-6-yl)pent-4-en-1-amine
CID 171225195
1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine
CID 54056751
3-(1H-indol-6-yl)butan-1-amine
CID 82602760
(1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine
CID 130708718
methyl (3S)-3-amino-3-(1H-indol-6-yl)propanoate;hydrochloride
CID 171241467
(1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride
CID 171248192
(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride
CID 171205545
ethyl (3S)-3-amino-3-(1H-indol-6-yl)propanoate
CID 171225204

Frequently Asked Questions

What is the IUPAC name of (1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride (CID 171225183) is (1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride is Cl.N[C@@H](CCF)c1ccc2cc[nH]c2c1.
What is the InChIKey of (1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride?
The InChIKey is ZNDMUBOJCSCZSY-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13FN2.ClH/c12-5-3-10(13)9-2-1-8-4-6-14-11(8)7-9;/h1-2,4,6-7,10,14H,3,5,13H2;1H/t10-;/m0./s1.
What are the key properties of (1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride?
(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride has a molecular weight of 228.70 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171225183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).