(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol

C12H16N2O — CID 171205537

IUPAC(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol
SMILESN[C@H](CCCO)c1cccc2[nH]ccc12
InChIInChI=1S/C12H16N2O/c13-11(4-2-8-15)9-3-1-5-12-10(9)6-7-14-12/h1,3,5-7,11,14-15H,2,4,8,13H2/t11-/m1/s1
InChIKeyYMOKNRILNBHYTF-LLVKDONJSA-N
MW204.27 g/mol
LogP1.94
Rot. Bonds4

About (4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol

(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol (PubChem CID 171205537) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol.

Molecular Properties

Compound Name(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol
PubChem CID171205537
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol
SMILESN[C@H](CCCO)c1cccc2[nH]ccc12
InChIInChI=1S/C12H16N2O/c13-11(4-2-8-15)9-3-1-5-12-10(9)6-7-14-12/h1,3,5-7,11,14-15H,2,4,8,13H2/t11-/m1/s1
InChIKeyYMOKNRILNBHYTF-LLVKDONJSA-N
XLogP1.94
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride
CID 171205497
(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
CID 130708711
(1S)-4,4,4-trifluoro-1-(1H-indol-4-yl)butan-1-amine;hydrochloride
CID 171225086
(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131385428
(1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131619295
(3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol
CID 131399130
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine
CID 171225082
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
3-amino-1-(1H-indol-4-yl)propan-1-ol
CID 54551349
(1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol
CID 171268241

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol?
The IUPAC name of (4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol (CID 171205537) is (4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol.
What is the SMILES notation for (4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol?
The canonical SMILES for (4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol is N[C@H](CCCO)c1cccc2[nH]ccc12.
What is the InChIKey of (4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol?
The InChIKey is YMOKNRILNBHYTF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11(4-2-8-15)9-3-1-5-12-10(9)6-7-14-12/h1,3,5-7,11,14-15H,2,4,8,13H2/t11-/m1/s1.
What are the key properties of (4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol?
(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol is sourced from PubChem (CID 171205537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).