2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol

C20H27N3O — CID 143831830

IUPAC2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c[nH]c2ccccc12.CNCCc1ccc(O)cc1
InChIInChI=1S/C11H14N2.C9H13NO/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11;1-10-7-6-8-2-4-9(11)5-3-8/h2-5,8,12-13H,6-7H2,1H3;2-5,10-11H,6-7H2,1H3
InChIKeyLHVBHDKGKDIHQU-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.08
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol

2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol (PubChem CID 143831830) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol
PubChem CID143831830
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c[nH]c2ccccc12.CNCCc1ccc(O)cc1
InChIInChI=1S/C11H14N2.C9H13NO/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11;1-10-7-6-8-2-4-9(11)5-3-8/h2-5,8,12-13H,6-7H2,1H3;2-5,10-11H,6-7H2,1H3
InChIKeyLHVBHDKGKDIHQU-UHFFFAOYSA-N
XLogP3.08
TPSA60.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine
CID 158014002
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
CID 54050405
(E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 5458878
6-[[2-(1H-indol-3-yl)ethylamino]methyl]pyridin-3-ol
CID 79775940
2-benzofuran-1,3-dione;4-[2-(methylamino)ethyl]phenol
CID 175587008
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
CID 176716293
CID 176716293
N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide
CID 135248329

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol?
The IUPAC name of 2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol (CID 143831830) is 2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol is CNCCc1c[nH]c2ccccc12.CNCCc1ccc(O)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol?
The InChIKey is LHVBHDKGKDIHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C9H13NO/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11;1-10-7-6-8-2-4-9(11)5-3-8/h2-5,8,12-13H,6-7H2,1H3;2-5,10-11H,6-7H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol?
2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol has a molecular weight of 325.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 143831830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).