1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine

C12H17Cl2NS — CID 64621822

IUPAC1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(C)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NS/c1-3-6-15-9(2)8-16-12-7-10(13)4-5-11(12)14/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyOYJBNDHVRXMKRD-UHFFFAOYSA-N
MW278.25 g/mol
LogP4.47
Rot. Bonds6

About 1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine

1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine (PubChem CID 64621822) has the molecular formula C12H17Cl2NS and a molecular weight of 278.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine
PubChem CID64621822
Molecular FormulaC12H17Cl2NS
Molecular Weight278.25 g/mol
Exact Mass277.05
IUPAC Name1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(C)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NS/c1-3-6-15-9(2)8-16-12-7-10(13)4-5-11(12)14/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyOYJBNDHVRXMKRD-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755214
4-(2,5-dichlorophenyl)sulfanyl-2-(propylamino)butan-1-ol
CID 64805734
(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 104889169
N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755215
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-3-methylbutan-2-amine
CID 55026719
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine
CID 65127726
3-(2,5-dichlorophenyl)sulfanyl-N-ethylpropan-1-amine
CID 61386021
1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine
CID 107784170
3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64805325
(2S,3S)-2-[2-(2,5-dichlorophenyl)sulfanylethylamino]-3-methylpentanoic acid
CID 122099941
2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64619490

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine (CID 64621822) is 1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine is CCCNC(C)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine?
The InChIKey is OYJBNDHVRXMKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NS/c1-3-6-15-9(2)8-16-12-7-10(13)4-5-11(12)14/h4-5,7,9,15H,3,6,8H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine?
1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine has a molecular weight of 278.25 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 64621822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).