2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

C17H23NOS — CID 62572170

IUPAC2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)Oc1ccccc1C(C)C
InChIInChI=1S/C17H23NOS/c1-13(2)16-8-4-5-9-17(16)19-14(3)11-18-12-15-7-6-10-20-15/h4-10,13-14,18H,11-12H2,1-3H3
InChIKeyXRYNOSAFNCJOHS-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.43
Rot. Bonds7

About 2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 62572170) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID62572170
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)Oc1ccccc1C(C)C
InChIInChI=1S/C17H23NOS/c1-13(2)16-8-4-5-9-17(16)19-14(3)11-18-12-15-7-6-10-20-15/h4-10,13-14,18H,11-12H2,1-3H3
InChIKeyXRYNOSAFNCJOHS-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63038033
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798982
2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55088459
2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798902
2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55092951
2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62585075
2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 116793711
1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204729
2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83141001
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54808025

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 62572170) is 2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)Oc1ccccc1C(C)C.
What is the InChIKey of 2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is XRYNOSAFNCJOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-13(2)16-8-4-5-9-17(16)19-14(3)11-18-12-15-7-6-10-20-15/h4-10,13-14,18H,11-12H2,1-3H3.
What are the key properties of 2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62572170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).