1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine

C16H26ClNS — CID 106868205

IUPAC1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)C)Cc1ccc(C)cc1Cl
InChIInChI=1S/C16H26ClNS/c1-5-8-18-15(11-19-12(2)3)10-14-7-6-13(4)9-16(14)17/h6-7,9,12,15,18H,5,8,10-11H2,1-4H3
InChIKeyQNMWKUGSJKGAQX-UHFFFAOYSA-N
MW299.91 g/mol
LogP4.70
Rot. Bonds8

About 1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine

1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine (PubChem CID 106868205) has the molecular formula C16H26ClNS and a molecular weight of 299.91 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
PubChem CID106868205
Molecular FormulaC16H26ClNS
Molecular Weight299.91 g/mol
Exact Mass299.15
IUPAC Name1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)C)Cc1ccc(C)cc1Cl
InChIInChI=1S/C16H26ClNS/c1-5-8-18-15(11-19-12(2)3)10-14-7-6-13(4)9-16(14)17/h6-7,9,12,15,18H,5,8,10-11H2,1-4H3
InChIKeyQNMWKUGSJKGAQX-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.91
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132131
1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine
CID 106866613
3-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
CID 106865003
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 106868842
1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 106867430
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
CID 106867862
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine
CID 106866972
N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 106866272
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131448
1-(2-chloro-4-methylphenyl)butan-2-ylhydrazine
CID 106868414

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine (CID 106868205) is 1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine is CCCNC(CSC(C)C)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The InChIKey is QNMWKUGSJKGAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNS/c1-5-8-18-15(11-19-12(2)3)10-14-7-6-13(4)9-16(14)17/h6-7,9,12,15,18H,5,8,10-11H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine has a molecular weight of 299.91 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 106868205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).