[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol

C19H22N2O — CID 71385029

IUPAC[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
SMILESOCc1ccccc1CCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O/c22-14-17-6-2-1-5-15(17)9-11-20-12-10-16-13-21-19-8-4-3-7-18(16)19/h1-8,13,20-22H,9-12,14H2
InChIKeyCGCDBSBOWMUMRR-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.04
Rot. Bonds7

About [2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol

[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol (PubChem CID 71385029) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is [2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
PubChem CID71385029
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
SMILESOCc1ccccc1CCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O/c22-14-17-6-2-1-5-15(17)9-11-20-12-10-16-13-21-19-8-4-3-7-18(16)19/h1-8,13,20-22H,9-12,14H2
InChIKeyCGCDBSBOWMUMRR-UHFFFAOYSA-N
XLogP3.04
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 82089991
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81411810
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol?
The IUPAC name of [2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol (CID 71385029) is [2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol.
What is the SMILES notation for [2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol?
The canonical SMILES for [2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol is OCc1ccccc1CCNCCc1c[nH]c2ccccc12.
What is the InChIKey of [2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol?
The InChIKey is CGCDBSBOWMUMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-14-17-6-2-1-5-15(17)9-11-20-12-10-16-13-21-19-8-4-3-7-18(16)19/h1-8,13,20-22H,9-12,14H2.
What are the key properties of [2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol?
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol has a molecular weight of 294.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol is sourced from PubChem (CID 71385029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).