1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine

C17H18N2O — CID 82024001

IUPAC1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(C(C)N)c2c1
InChIInChI=1S/C17H18N2O/c1-11(18)16-14-10-13(20-2)8-9-15(14)19-17(16)12-6-4-3-5-7-12/h3-11,19H,18H2,1-2H3
InChIKeyBAZPBXDWTVUAEQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.86
Rot. Bonds3

About 1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine

1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine (PubChem CID 82024001) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine
PubChem CID82024001
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(C(C)N)c2c1
InChIInChI=1S/C17H18N2O/c1-11(18)16-14-10-13(20-2)8-9-15(14)19-17(16)12-6-4-3-5-7-12/h3-11,19H,18H2,1-2H3
InChIKeyBAZPBXDWTVUAEQ-UHFFFAOYSA-N
XLogP3.86
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine
CID 82023991
1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine
CID 82023996
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine
CID 82279305
5-methoxy-2-methyl-3-phenyl-1H-indole
CID 11564934
CID 53376627
CID 53376627
2-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylidene]propanedinitrile
CID 23861723
2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole
CID 2741187
methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate
CID 146165176
4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol
CID 137107988
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole
CID 176907996

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine (CID 82024001) is 1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine is COc1ccc2[nH]c(-c3ccccc3)c(C(C)N)c2c1.
What is the InChIKey of 1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine?
The InChIKey is BAZPBXDWTVUAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11(18)16-14-10-13(20-2)8-9-15(14)19-17(16)12-6-4-3-5-7-12/h3-11,19H,18H2,1-2H3.
What are the key properties of 1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine?
1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 82024001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).