(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol

C12H16N2O — CID 114985544

IUPAC(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
SMILESC[C@H](CO)NCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2O/c1-9(8-15)13-6-10-7-14-12-5-3-2-4-11(10)12/h2-5,7,9,13-15H,6,8H2,1H3/t9-/m1/s1
InChIKeyCOFLBUXXBZEHFQ-SECBINFHSA-N
MW204.27 g/mol
LogP1.64
Rot. Bonds4

About (2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol

(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol (PubChem CID 114985544) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
PubChem CID114985544
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
SMILESC[C@H](CO)NCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2O/c1-9(8-15)13-6-10-7-14-12-5-3-2-4-11(10)12/h2-5,7,9,13-15H,6,8H2,1H3/t9-/m1/s1
InChIKeyCOFLBUXXBZEHFQ-SECBINFHSA-N
XLogP1.64
TPSA48.05 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 ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
2-(1H-indol-3-ylmethylamino)propanoic acid
CID 62324113
1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
CID 60958104
1-(1H-indol-3-ylmethylamino)ethanesulfonic acid
CID 177255984
2-(1H-indol-3-ylmethylamino)propanenitrile
CID 115130152
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
2-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 61057745
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 81401542
1-cyclohexyl-N-(1H-indol-3-ylmethyl)ethanamine
CID 62407326
(1H-indol-3-ylmethylamino)methanol
CID 115228988
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol
CID 115120563

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol?
The IUPAC name of (2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol (CID 114985544) is (2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol?
The canonical SMILES for (2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol is C[C@H](CO)NCc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol?
The InChIKey is COFLBUXXBZEHFQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(8-15)13-6-10-7-14-12-5-3-2-4-11(10)12/h2-5,7,9,13-15H,6,8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol?
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol is sourced from PubChem (CID 114985544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).