(3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride

C14H21ClN2O — CID 171241945

IUPAC(3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride
SMILESCl.Cn1cc([C@@H](N)C(C)(C)CO)c2ccccc21
InChIInChI=1S/C14H20N2O.ClH/c1-14(2,9-17)13(15)11-8-16(3)12-7-5-4-6-10(11)12;/h4-8,13,17H,9,15H2,1-3H3;1H/t13-;/m1./s1
InChIKeyMWUYMYRYAFEEES-BTQNPOSSSA-N
MW268.79 g/mol
LogP2.62
Rot. Bonds3

About (3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride

(3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride (PubChem CID 171241945) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride
PubChem CID171241945
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride
SMILESCl.Cn1cc([C@@H](N)C(C)(C)CO)c2ccccc21
InChIInChI=1S/C14H20N2O.ClH/c1-14(2,9-17)13(15)11-8-16(3)12-7-5-4-6-10(11)12;/h4-8,13,17H,9,15H2,1-3H3;1H/t13-;/m1./s1
InChIKeyMWUYMYRYAFEEES-BTQNPOSSSA-N
XLogP2.62
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol
CID 171248669
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
CID 116933418
(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171241948
(3S)-3-amino-2,2-difluoro-3-(1-methylindol-3-yl)propan-1-ol
CID 171248671
(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171312426
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204
1-methyl-3-propan-2-ylindole
CID 10942942
(1R)-1-(1-methylindol-3-yl)but-3-en-1-amine;hydrochloride
CID 171206886
ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849
methoxy-(1-methylindol-3-yl)methanamine
CID 116947283

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride (CID 171241945) is (3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride is Cl.Cn1cc([C@@H](N)C(C)(C)CO)c2ccccc21.
What is the InChIKey of (3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride?
The InChIKey is MWUYMYRYAFEEES-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-14(2,9-17)13(15)11-8-16(3)12-7-5-4-6-10(11)12;/h4-8,13,17H,9,15H2,1-3H3;1H/t13-;/m1./s1.
What are the key properties of (3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride?
(3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171241945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).