(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol

C14H20N2O — CID 171248669

IUPAC(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol
SMILESCn1cc([C@H](N)C(C)(C)CO)c2ccccc21
InChIInChI=1S/C14H20N2O/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/t13-/m0/s1
InChIKeyOJWJHERWOXHWQI-ZDUSSCGKSA-N
MW232.33 g/mol
LogP2.20
Rot. Bonds3

About (3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol

(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol (PubChem CID 171248669) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol
PubChem CID171248669
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol
SMILESCn1cc([C@H](N)C(C)(C)CO)c2ccccc21
InChIInChI=1S/C14H20N2O/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/t13-/m0/s1
InChIKeyOJWJHERWOXHWQI-ZDUSSCGKSA-N
XLogP2.20
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride
CID 171241945
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
CID 116933418
(3S)-3-amino-2,2-difluoro-3-(1-methylindol-3-yl)propan-1-ol
CID 171248671
(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171241948
(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
1-methyl-3-propan-2-ylindole
CID 10942942
methoxy-(1-methylindol-3-yl)methanamine
CID 116947283
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
CID 116932472
(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol?
The IUPAC name of (3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol (CID 171248669) is (3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol is Cn1cc([C@H](N)C(C)(C)CO)c2ccccc21.
What is the InChIKey of (3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol?
The InChIKey is OJWJHERWOXHWQI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O/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/t13-/m0/s1.
What are the key properties of (3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol?
(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol is sourced from PubChem (CID 171248669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).