(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol

C12H16N2O — CID 95438673

IUPAC(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
SMILESCn1cc([C@@H](O)CCN)c2ccccc21
InChIInChI=1S/C12H16N2O/c1-14-8-10(12(15)6-7-13)9-4-2-3-5-11(9)14/h2-5,8,12,15H,6-7,13H2,1H3/t12-/m0/s1
InChIKeySXSBKTKWOCIVOL-LBPRGKRZSA-N
MW204.27 g/mol
LogP1.56
Rot. Bonds3

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

(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol (PubChem CID 95438673) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
PubChem CID95438673
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
SMILESCn1cc([C@@H](O)CCN)c2ccccc21
InChIInChI=1S/C12H16N2O/c1-14-8-10(12(15)6-7-13)9-4-2-3-5-11(9)14/h2-5,8,12,15H,6-7,13H2,1H3/t12-/m0/s1
InChIKeySXSBKTKWOCIVOL-LBPRGKRZSA-N
XLogP1.56
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
1-(1-methylindol-3-yl)-2-sulfanylethanol
CID 116830001
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
4-amino-1-[methyl-(1-methylindol-3-yl)amino]butan-2-ol
CID 117039109
1-methyl-3-propan-2-ylindole
CID 10942942
2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol
CID 102282092
3-amino-1-(2-propan-2-ylphenyl)propan-1-ol
CID 82605381
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303
1-(1-methylindol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170821284
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
CID 116933418

Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol?
The IUPAC name of (1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol (CID 95438673) is (1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol.
What is the SMILES notation for (1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol?
The canonical SMILES for (1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol is Cn1cc([C@@H](O)CCN)c2ccccc21.
What is the InChIKey of (1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol?
The InChIKey is SXSBKTKWOCIVOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-8-10(12(15)6-7-13)9-4-2-3-5-11(9)14/h2-5,8,12,15H,6-7,13H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol?
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol is sourced from PubChem (CID 95438673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).