3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine

C20H21NOS — CID 83973441

IUPAC3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
SMILESCc1ccsc1CC(CN)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H21NOS/c1-15-10-11-23-20(15)13-17(14-21)16-6-5-9-19(12-16)22-18-7-3-2-4-8-18/h2-12,17H,13-14,21H2,1H3
InChIKeyGNRGNOBDELBEBL-UHFFFAOYSA-N
MW323.46 g/mol
LogP5.13
Rot. Bonds6

About 3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine

3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine (PubChem CID 83973441) has the molecular formula C20H21NOS and a molecular weight of 323.46 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
PubChem CID83973441
Molecular FormulaC20H21NOS
Molecular Weight323.46 g/mol
Exact Mass323.13
IUPAC Name3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
SMILESCc1ccsc1CC(CN)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H21NOS/c1-15-10-11-23-20(15)13-17(14-21)16-6-5-9-19(12-16)22-18-7-3-2-4-8-18/h2-12,17H,13-14,21H2,1H3
InChIKeyGNRGNOBDELBEBL-UHFFFAOYSA-N
XLogP5.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973382
3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973436
2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83973702
2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83972725
3-(2-fluorophenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973445
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416744
2-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 82160286
2-(3-chloro-4-ethoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83973518
(2-methylthiophen-3-yl)-(3-phenoxyphenyl)methanol
CID 102829168
2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83974291
3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid
CID 79014830

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine (CID 83973441) is 3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine is Cc1ccsc1CC(CN)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine?
The InChIKey is GNRGNOBDELBEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NOS/c1-15-10-11-23-20(15)13-17(14-21)16-6-5-9-19(12-16)22-18-7-3-2-4-8-18/h2-12,17H,13-14,21H2,1H3.
What are the key properties of 3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine?
3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine has a molecular weight of 323.46 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).