amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol

C19H23N3O2 — CID 163793761

IUPACamino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol
SMILESCCOCCc1cc2c(-c3cccc(N)c3)ccc(C(N)O)c2[nH]1
InChIInChI=1S/C19H23N3O2/c1-2-24-9-8-14-11-17-15(12-4-3-5-13(20)10-12)6-7-16(19(21)23)18(17)22-14/h3-7,10-11,19,22-23H,2,8-9,20-21H2,1H3
InChIKeyMYZWJCMXOOKDBX-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.95
Rot. Bonds6

About amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol

amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol (PubChem CID 163793761) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol.

Molecular Properties

Compound Nameamino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol
PubChem CID163793761
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Nameamino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol
SMILESCCOCCc1cc2c(-c3cccc(N)c3)ccc(C(N)O)c2[nH]1
InChIInChI=1S/C19H23N3O2/c1-2-24-9-8-14-11-17-15(12-4-3-5-13(20)10-12)6-7-16(19(21)23)18(17)22-14/h3-7,10-11,19,22-23H,2,8-9,20-21H2,1H3
InChIKeyMYZWJCMXOOKDBX-UHFFFAOYSA-N
XLogP2.95
TPSA97.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol?
The IUPAC name of amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol (CID 163793761) is amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol.
What is the SMILES notation for amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol?
The canonical SMILES for amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol is CCOCCc1cc2c(-c3cccc(N)c3)ccc(C(N)O)c2[nH]1.
What is the InChIKey of amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol?
The InChIKey is MYZWJCMXOOKDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-24-9-8-14-11-17-15(12-4-3-5-13(20)10-12)6-7-16(19(21)23)18(17)22-14/h3-7,10-11,19,22-23H,2,8-9,20-21H2,1H3.
What are the key properties of amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol?
amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol has a molecular weight of 325.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-(3-aminophenyl)-2-(2-ethoxyethyl)-1H-indol-7-yl]methanol is sourced from PubChem (CID 163793761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).