3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine

C20H23ClN2O — CID 83976420

IUPAC3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2c[nH]c3ccc(C)cc23)cc1Cl
InChIInChI=1S/C20H23ClN2O/c1-3-24-20-7-5-14(10-18(20)21)9-15(11-22)17-12-23-19-6-4-13(2)8-16(17)19/h4-8,10,12,15,23H,3,9,11,22H2,1-2H3
InChIKeyQAJKHUSDRAKLPK-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.81
Rot. Bonds6

About 3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine

3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine (PubChem CID 83976420) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
PubChem CID83976420
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2c[nH]c3ccc(C)cc23)cc1Cl
InChIInChI=1S/C20H23ClN2O/c1-3-24-20-7-5-14(10-18(20)21)9-15(11-22)17-12-23-19-6-4-13(2)8-16(17)19/h4-8,10,12,15,23H,3,9,11,22H2,1-2H3
InChIKeyQAJKHUSDRAKLPK-UHFFFAOYSA-N
XLogP4.81
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-propoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976343
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058
4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline
CID 83976395
2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 83976433
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
3-(3-chlorophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974508
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977361

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine (CID 83976420) is 3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine is CCOc1ccc(CC(CN)c2c[nH]c3ccc(C)cc23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine?
The InChIKey is QAJKHUSDRAKLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-3-24-20-7-5-14(10-18(20)21)9-15(11-22)17-12-23-19-6-4-13(2)8-16(17)19/h4-8,10,12,15,23H,3,9,11,22H2,1-2H3.
What are the key properties of 3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine?
3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine has a molecular weight of 342.87 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83976420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).