2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol

C16H24N2O — CID 81411810

IUPAC2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2O/c1-3-16(2,12-19)11-17-9-8-13-10-18-15-7-5-4-6-14(13)15/h4-7,10,17-19H,3,8-9,11-12H2,1-2H3
InChIKeyHNDZEJAFPFIAFA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.71
Rot. Bonds7

About 2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol

2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol (PubChem CID 81411810) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol
PubChem CID81411810
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2O/c1-3-16(2,12-19)11-17-9-8-13-10-18-15-7-5-4-6-14(13)15/h4-7,10,17-19H,3,8-9,11-12H2,1-2H3
InChIKeyHNDZEJAFPFIAFA-UHFFFAOYSA-N
XLogP2.71
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.71
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

2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002301
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
CID 176716293
CID 176716293
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542
N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 82089991
(E)-but-2-enedioic acid;bis(N-ethyl-2-(1H-indol-3-yl)ethanamine)
CID 172871952
2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 81419243
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
CID 106386056

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol (CID 81411810) is 2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol?
The InChIKey is HNDZEJAFPFIAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-16(2,12-19)11-17-9-8-13-10-18-15-7-5-4-6-14(13)15/h4-7,10,17-19H,3,8-9,11-12H2,1-2H3.
What are the key properties of 2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol?
2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81411810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).