(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride

C14H19ClN2O — CID 171199753

IUPAC(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride
SMILESC=C(C)C[C@@H](N)c1c[nH]c2ccc(OC)cc12.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-9(2)6-13(15)12-8-16-14-5-4-10(17-3)7-11(12)14;/h4-5,7-8,13,16H,1,6,15H2,2-3H3;1H/t13-;/m1./s1
InChIKeyWFCSTOYATGTYIS-BTQNPOSSSA-N
MW266.77 g/mol
LogP3.56
Rot. Bonds4

About (1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride

(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride (PubChem CID 171199753) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride
PubChem CID171199753
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride
SMILESC=C(C)C[C@@H](N)c1c[nH]c2ccc(OC)cc12.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-9(2)6-13(15)12-8-16-14-5-4-10(17-3)7-11(12)14;/h4-5,7-8,13,16H,1,6,15H2,2-3H3;1H/t13-;/m1./s1
InChIKeyWFCSTOYATGTYIS-BTQNPOSSSA-N
XLogP3.56
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
2-[(1S)-1-amino-3-methylbut-3-enyl]-4-methoxyphenol;hydrochloride
CID 171222270
2-[(1S)-1-amino-3-methylbut-3-enyl]-5-methoxyphenol
CID 171220210
(3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol
CID 171246174
ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
CID 54293659
ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate
CID 102584304
2-(dimethylamino)-2-(5-methoxy-1H-indol-3-yl)ethanethioamide
CID 84749835
(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
CID 171219271

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride (CID 171199753) is (1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride is C=C(C)C[C@@H](N)c1c[nH]c2ccc(OC)cc12.Cl.
What is the InChIKey of (1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride?
The InChIKey is WFCSTOYATGTYIS-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c1-9(2)6-13(15)12-8-16-14-5-4-10(17-3)7-11(12)14;/h4-5,7-8,13,16H,1,6,15H2,2-3H3;1H/t13-;/m1./s1.
What are the key properties of (1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride?
(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride is sourced from PubChem (CID 171199753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).