1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine

C14H21Cl2NS — CID 65132131

IUPAC1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
SMILESCCNC(CSC(C)C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NS/c1-4-17-13(9-18-10(2)3)7-11-5-6-12(15)8-14(11)16/h5-6,8,10,13,17H,4,7,9H2,1-3H3
InChIKeyQXOCIJNBVJVDIU-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.66
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine

1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine (PubChem CID 65132131) has the molecular formula C14H21Cl2NS and a molecular weight of 306.30 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
PubChem CID65132131
Molecular FormulaC14H21Cl2NS
Molecular Weight306.30 g/mol
Exact Mass305.08
IUPAC Name1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
SMILESCCNC(CSC(C)C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NS/c1-4-17-13(9-18-10(2)3)7-11-5-6-12(15)8-14(11)16/h5-6,8,10,13,17H,4,7,9H2,1-3H3
InChIKeyQXOCIJNBVJVDIU-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 106868205
1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 55228646
1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 63413199
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 114855538
1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456
1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 60819236
methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate
CID 82351330
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 103048614
1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65321733
3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495499
1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642799
1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 106867430

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine (CID 65132131) is 1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine is CCNC(CSC(C)C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine?
The InChIKey is QXOCIJNBVJVDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NS/c1-4-17-13(9-18-10(2)3)7-11-5-6-12(15)8-14(11)16/h5-6,8,10,13,17H,4,7,9H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine?
1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine has a molecular weight of 306.30 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 65132131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).