4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol

C20H24N2O — CID 83975448

IUPAC4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol
SMILESCCn1c(C)c(CC(CN)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C20H24N2O/c1-3-22-14(2)19(18-6-4-5-7-20(18)22)12-16(13-21)15-8-10-17(23)11-9-15/h4-11,16,23H,3,12-13,21H2,1-2H3
InChIKeyTYFZJTXKXKQSCG-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.96
Rot. Bonds5

About 4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol

4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol (PubChem CID 83975448) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol
PubChem CID83975448
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol
SMILESCCn1c(C)c(CC(CN)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C20H24N2O/c1-3-22-14(2)19(18-6-4-5-7-20(18)22)12-16(13-21)15-8-10-17(23)11-9-15/h4-11,16,23H,3,12-13,21H2,1-2H3
InChIKeyTYFZJTXKXKQSCG-UHFFFAOYSA-N
XLogP3.96
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972544
3-(1-ethyl-2-methylindol-3-yl)-2-pyridin-2-ylpropan-1-amine
CID 83975876
3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 112539142
2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539162
3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170866943
3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol
CID 170829191
CID 163999461
CID 163999461
(2-methyl-1-propylindol-3-yl)methanol
CID 91556176
1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole
CID 54192979
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol
CID 110537891
3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974234

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol?
The IUPAC name of 4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol (CID 83975448) is 4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol.
What is the SMILES notation for 4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol?
The canonical SMILES for 4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol is CCn1c(C)c(CC(CN)c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of 4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol?
The InChIKey is TYFZJTXKXKQSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-22-14(2)19(18-6-4-5-7-20(18)22)12-16(13-21)15-8-10-17(23)11-9-15/h4-11,16,23H,3,12-13,21H2,1-2H3.
What are the key properties of 4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol?
4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol has a molecular weight of 308.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-3-(1-ethyl-2-methylindol-3-yl)propan-2-yl]phenol is sourced from PubChem (CID 83975448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).