2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol

C15H22ClN3O — CID 164637735

IUPAC2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol
SMILESC[C@@H](CN(C)CCO)NCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H22ClN3O/c1-11(10-19(2)5-6-20)17-9-14-8-12-7-13(16)3-4-15(12)18-14/h3-4,7-8,11,17-18,20H,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyNLFAPQHABROPPW-NSHDSACASA-N
MW295.81 g/mol
LogP2.22
Rot. Bonds7

About 2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol

2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol (PubChem CID 164637735) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol
PubChem CID164637735
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol
SMILESC[C@@H](CN(C)CCO)NCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H22ClN3O/c1-11(10-19(2)5-6-20)17-9-14-8-12-7-13(16)3-4-15(12)18-14/h3-4,7-8,11,17-18,20H,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyNLFAPQHABROPPW-NSHDSACASA-N
XLogP2.22
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol with MolForge

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Related Compounds

ST-1936
CID 9921064
5-Chloro-alphamt
CID 12833
5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
CID 10131112
5-Chloro-2-methylindole
CID 70636
Tepirindole
CID 68915
1-(3,6-dichloro-9H-carbazol-9-yl)-3-((2-methoxyethyl)amino)propan-2-ol
CID 2920941
(R,S)-1-(5-chloro-1H-indol-1-yl)propan-2-amine
CID 9855823
8-chloro-1H,2H,3H,4H-pyrazino[1,2-a]indole
CID 14595512
6-Chloro-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
CID 19807233
6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 17743497
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 127036932
1-(3-Chloro-phenylamino)-3-(3,6-dichloro-carbazol-9-yl)-propan-2-ol
CID 3103959

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol?
The IUPAC name of 2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol (CID 164637735) is 2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol?
The canonical SMILES for 2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol is C[C@@H](CN(C)CCO)NCc1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol?
The InChIKey is NLFAPQHABROPPW-NSHDSACASA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11(10-19(2)5-6-20)17-9-14-8-12-7-13(16)3-4-15(12)18-14/h3-4,7-8,11,17-18,20H,5-6,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol?
2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol has a molecular weight of 295.81 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(5-chloro-1H-indol-2-yl)methylamino]propyl]-methylamino]ethanol is sourced from PubChem (CID 164637735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).