(3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol

C14H20N2O2 — CID 171246174

IUPAC(3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc2[nH]cc([C@H](N)C(C)(C)CO)c2c1
InChIInChI=1S/C14H20N2O2/c1-14(2,8-17)13(15)11-7-16-12-5-4-9(18-3)6-10(11)12/h4-7,13,16-17H,8,15H2,1-3H3/t13-/m0/s1
InChIKeyKLVKJJUPPRHQSC-ZDUSSCGKSA-N
MW248.33 g/mol
LogP2.19
Rot. Bonds4

About (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol

(3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol (PubChem CID 171246174) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol
PubChem CID171246174
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc2[nH]cc([C@H](N)C(C)(C)CO)c2c1
InChIInChI=1S/C14H20N2O2/c1-14(2,8-17)13(15)11-7-16-12-5-4-9(18-3)6-10(11)12/h4-7,13,16-17H,8,15H2,1-3H3/t13-/m0/s1
InChIKeyKLVKJJUPPRHQSC-ZDUSSCGKSA-N
XLogP2.19
TPSA71.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
methyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;hydrochloride
CID 171239452
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171199753
(3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171246300
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
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
2-(dimethylamino)-2-(5-methoxy-1H-indol-3-yl)ethanethioamide
CID 84749835
(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
CID 46914834
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207
(S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239459

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol (CID 171246174) is (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol is COc1ccc2[nH]cc([C@H](N)C(C)(C)CO)c2c1.
What is the InChIKey of (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is KLVKJJUPPRHQSC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,8-17)13(15)11-7-16-12-5-4-9(18-3)6-10(11)12/h4-7,13,16-17H,8,15H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol?
(3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 171246174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).