3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine

C19H21FN2O2 — CID 83976531

IUPAC3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2c[nH]c3ccc(F)cc23)cc1OC
InChIInChI=1S/C19H21FN2O2/c1-23-18-6-3-12(8-19(18)24-2)7-13(10-21)16-11-22-17-5-4-14(20)9-15(16)17/h3-6,8-9,11,13,22H,7,10,21H2,1-2H3
InChIKeyNMVZQZHPAUIRTI-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.61
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine

3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine (PubChem CID 83976531) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
PubChem CID83976531
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2c[nH]c3ccc(F)cc23)cc1OC
InChIInChI=1S/C19H21FN2O2/c1-23-18-6-3-12(8-19(18)24-2)7-13(10-21)16-11-22-17-5-4-14(20)9-15(16)17/h3-6,8-9,11,13,22H,7,10,21H2,1-2H3
InChIKeyNMVZQZHPAUIRTI-UHFFFAOYSA-N
XLogP3.61
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol
CID 83976615
4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline
CID 83976530
3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976577
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
CID 83976420
3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine
CID 83976598
2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 83975169
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 57147957
2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 82141160
2-(3,4-dimethoxyphenyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087404

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine (CID 83976531) is 3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine is COc1ccc(CC(CN)c2c[nH]c3ccc(F)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The InChIKey is NMVZQZHPAUIRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-23-18-6-3-12(8-19(18)24-2)7-13(10-21)16-11-22-17-5-4-14(20)9-15(16)17/h3-6,8-9,11,13,22H,7,10,21H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine?
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine has a molecular weight of 328.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83976531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).