1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine

C18H20N2O — CID 102909966

IUPAC1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine
SMILESCCOc1cccc(CNCc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C18H20N2O/c1-2-21-17-5-3-4-14(10-17)12-19-13-15-6-7-16-8-9-20-18(16)11-15/h3-11,19-20H,2,12-13H2,1H3
InChIKeyPHDGNKWWSDBSJB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.86
Rot. Bonds6

About 1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine

1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine (PubChem CID 102909966) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine
PubChem CID102909966
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine
SMILESCCOc1cccc(CNCc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C18H20N2O/c1-2-21-17-5-3-4-14(10-17)12-19-13-15-6-7-16-8-9-20-18(16)11-15/h3-11,19-20H,2,12-13H2,1H3
InChIKeyPHDGNKWWSDBSJB-UHFFFAOYSA-N
XLogP3.86
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
CID 17221716
1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408093
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride
CID 17221715
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-ethoxyphenyl)methanamine
CID 18437826
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 66474852
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-ethoxyphenyl)methanamine;hydrochloride
CID 17291871
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine (CID 102909966) is 1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine is CCOc1cccc(CNCc2ccc3cc[nH]c3c2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine?
The InChIKey is PHDGNKWWSDBSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-21-17-5-3-4-14(10-17)12-19-13-15-6-7-16-8-9-20-18(16)11-15/h3-11,19-20H,2,12-13H2,1H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine?
1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine has a molecular weight of 280.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine is sourced from PubChem (CID 102909966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).