(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride

C12H16ClFN2 — CID 171226427

IUPAC(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
SMILESCc1[nH]c2ccccc2c1[C@@H](N)CCF.Cl
InChIInChI=1S/C12H15FN2.ClH/c1-8-12(10(14)6-7-13)9-4-2-3-5-11(9)15-8;/h2-5,10,15H,6-7,14H2,1H3;1H/t10-;/m0./s1
InChIKeyNFRFHPVVDIONBQ-PPHPATTJSA-N
MW242.72 g/mol
LogP3.26
Rot. Bonds3

About (1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride

(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride (PubChem CID 171226427) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is (1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
PubChem CID171226427
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
SMILESCc1[nH]c2ccccc2c1[C@@H](N)CCF.Cl
InChIInChI=1S/C12H15FN2.ClH/c1-8-12(10(14)6-7-13)9-4-2-3-5-11(9)15-8;/h2-5,10,15H,6-7,14H2,1H3;1H/t10-;/m0./s1
InChIKeyNFRFHPVVDIONBQ-PPHPATTJSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171206848
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine
CID 171206860
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 116934901
(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 95447779
(1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171312424
methyl (2S)-2-amino-2-(2-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 171206867
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165

Frequently Asked Questions

What is the IUPAC name of (1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride (CID 171226427) is (1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride is Cc1[nH]c2ccccc2c1[C@@H](N)CCF.Cl.
What is the InChIKey of (1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is NFRFHPVVDIONBQ-PPHPATTJSA-N. The full InChI is InChI=1S/C12H15FN2.ClH/c1-8-12(10(14)6-7-13)9-4-2-3-5-11(9)15-8;/h2-5,10,15H,6-7,14H2,1H3;1H/t10-;/m0./s1.
What are the key properties of (1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride?
(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 242.72 g/mol, XLogP of 3.26, 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-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171226427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).