(3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol

C13H18N2O — CID 131399130

IUPAC(3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)[C@H](N)c1cccc2[nH]ccc12
InChIInChI=1S/C13H18N2O/c1-13(2,8-16)12(14)10-4-3-5-11-9(10)6-7-15-11/h3-7,12,15-16H,8,14H2,1-2H3/t12-/m1/s1
InChIKeyQYOHMYCSTPWTBV-GFCCVEGCSA-N
MW218.30 g/mol
LogP2.19
Rot. Bonds3

About (3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol

(3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol (PubChem CID 131399130) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol
PubChem CID131399130
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)[C@H](N)c1cccc2[nH]ccc12
InChIInChI=1S/C13H18N2O/c1-13(2,8-16)12(14)10-4-3-5-11-9(10)6-7-15-11/h3-7,12,15-16H,8,14H2,1-2H3/t12-/m1/s1
InChIKeyQYOHMYCSTPWTBV-GFCCVEGCSA-N
XLogP2.19
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol
CID 171205537
(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
CID 130708711
(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131385428
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262561
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol
CID 131376130
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
1-amino-1-(1H-indol-4-yl)propan-2-one
CID 55270275
(1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131619295
(1S)-4,4,4-trifluoro-1-(1H-indol-4-yl)butan-1-amine;hydrochloride
CID 171225086

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of (3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol (CID 131399130) is (3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol is CC(C)(CO)[C@H](N)c1cccc2[nH]ccc12.
What is the InChIKey of (3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is QYOHMYCSTPWTBV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,8-16)12(14)10-4-3-5-11-9(10)6-7-15-11/h3-7,12,15-16H,8,14H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol?
(3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 131399130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).