2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

C14H15Cl2NOS — CID 54798982

IUPAC2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NOS/c1-10(8-17-9-12-3-2-6-19-12)18-14-5-4-11(15)7-13(14)16/h2-7,10,17H,8-9H2,1H3
InChIKeyMILGXJJDIZAPGS-UHFFFAOYSA-N
MW316.25 g/mol
LogP4.61
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 54798982) has the molecular formula C14H15Cl2NOS and a molecular weight of 316.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID54798982
Molecular FormulaC14H15Cl2NOS
Molecular Weight316.25 g/mol
Exact Mass315.03
IUPAC Name2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NOS/c1-10(8-17-9-12-3-2-6-19-12)18-14-5-4-11(15)7-13(14)16/h2-7,10,17H,8-9H2,1H3
InChIKeyMILGXJJDIZAPGS-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55092951
1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632969
2-(2,3-difluorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63038033
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62572170
2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 54803505
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-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83141001
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62585075
2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 86909514
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 54798982) is 2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is MILGXJJDIZAPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NOS/c1-10(8-17-9-12-3-2-6-19-12)18-14-5-4-11(15)7-13(14)16/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 316.25 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 54798982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).