N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine

C16H20N2O — CID 62065957

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine
SMILESC1=COC(CNCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H20N2O/c1-2-7-16-15(6-1)13(11-18-16)8-9-17-12-14-5-3-4-10-19-14/h1-2,4,6-7,10-11,14,17-18H,3,5,8-9,12H2
InChIKeyNYYRYDHHXSSDLV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.99
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine (PubChem CID 62065957) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine
PubChem CID62065957
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine
SMILESC1=COC(CNCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H20N2O/c1-2-7-16-15(6-1)13(11-18-16)8-9-17-12-14-5-3-4-10-19-14/h1-2,4,6-7,10-11,14,17-18H,3,5,8-9,12H2
InChIKeyNYYRYDHHXSSDLV-UHFFFAOYSA-N
XLogP2.99
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 78914442
2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386648
2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632947
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(1H-indol-3-yl)butan-1-amine
CID 18923886
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 1378371
N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63420547
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine (CID 62065957) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine is C1=COC(CNCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine?
The InChIKey is NYYRYDHHXSSDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-7-16-15(6-1)13(11-18-16)8-9-17-12-14-5-3-4-10-19-14/h1-2,4,6-7,10-11,14,17-18H,3,5,8-9,12H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 62065957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).