2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine

C22H28N2O — CID 83976433

IUPAC2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCc1ccc2[nH]cc(C(CN)Cc3cccc(OCC(C)C)c3)c2c1
InChIInChI=1S/C22H28N2O/c1-15(2)14-25-19-6-4-5-17(11-19)10-18(12-23)21-13-24-22-8-7-16(3)9-20(21)22/h4-9,11,13,15,18,24H,10,12,14,23H2,1-3H3
InChIKeyMSUHZIVACCTIRT-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.80
Rot. Bonds7

About 2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine

2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine (PubChem CID 83976433) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
PubChem CID83976433
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
SMILESCc1ccc2[nH]cc(C(CN)Cc3cccc(OCC(C)C)c3)c2c1
InChIInChI=1S/C22H28N2O/c1-15(2)14-25-19-6-4-5-17(11-19)10-18(12-23)21-13-24-22-8-7-16(3)9-20(21)22/h4-9,11,13,15,18,24H,10,12,14,23H2,1-3H3
InChIKeyMSUHZIVACCTIRT-UHFFFAOYSA-N
XLogP4.80
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
CID 83976499
3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
CID 83976420
4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline
CID 83976395
3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine
CID 83976598
2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 82160336
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
2-(5-methoxy-1H-indol-3-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976611
2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83972858
2-(1,3-benzodioxol-5-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 83973950
4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol
CID 83976615
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine?
The IUPAC name of 2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine (CID 83976433) is 2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine.
What is the SMILES notation for 2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine?
The canonical SMILES for 2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine is Cc1ccc2[nH]cc(C(CN)Cc3cccc(OCC(C)C)c3)c2c1.
What is the InChIKey of 2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine?
The InChIKey is MSUHZIVACCTIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-15(2)14-25-19-6-4-5-17(11-19)10-18(12-23)21-13-24-22-8-7-16(3)9-20(21)22/h4-9,11,13,15,18,24H,10,12,14,23H2,1-3H3.
What are the key properties of 2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine?
2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine has a molecular weight of 336.48 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 83976433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).