1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine

C15H23Cl2NS — CID 65134967

IUPAC1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCNC(CSCC(C)C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H23Cl2NS/c1-4-18-12(10-19-9-11(2)3)8-13-14(16)6-5-7-15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyOFTJWVDSFWMTSC-UHFFFAOYSA-N
MW320.33 g/mol
LogP4.90
Rot. Bonds8

About 1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine

1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 65134967) has the molecular formula C15H23Cl2NS and a molecular weight of 320.33 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID65134967
Molecular FormulaC15H23Cl2NS
Molecular Weight320.33 g/mol
Exact Mass319.09
IUPAC Name1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCNC(CSCC(C)C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H23Cl2NS/c1-4-18-12(10-19-9-11(2)3)8-13-14(16)6-5-7-15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3
InChIKeyOFTJWVDSFWMTSC-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128864
1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 112653767
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 103040087
N-ethyl-1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135077
1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 64906804
1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine
CID 63412621
4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 79088008
1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135023
1-(2,6-dichlorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62604328
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285
1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455278

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine (CID 65134967) is 1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine is CCNC(CSCC(C)C)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is OFTJWVDSFWMTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NS/c1-4-18-12(10-19-9-11(2)3)8-13-14(16)6-5-7-15(13)17/h5-7,11-12,18H,4,8-10H2,1-3H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 320.33 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 65134967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).