N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine

C18H22ClNS — CID 66086433

IUPACN-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1cccc(C)c1)c1ccccc1Cl
InChIInChI=1S/C18H22ClNS/c1-3-11-20-18(16-9-4-5-10-17(16)19)13-21-15-8-6-7-14(2)12-15/h4-10,12,18,20H,3,11,13H2,1-2H3
InChIKeyKSUOGASGDIJOBE-UHFFFAOYSA-N
MW319.90 g/mol
LogP5.48
Rot. Bonds7

About N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine

N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine (PubChem CID 66086433) has the molecular formula C18H22ClNS and a molecular weight of 319.90 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
PubChem CID66086433
Molecular FormulaC18H22ClNS
Molecular Weight319.90 g/mol
Exact Mass319.12
IUPAC NameN-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1cccc(C)c1)c1ccccc1Cl
InChIInChI=1S/C18H22ClNS/c1-3-11-20-18(16-9-4-5-10-17(16)19)13-21-15-8-6-7-14(2)12-15/h4-10,12,18,20H,3,11,13H2,1-2H3
InChIKeyKSUOGASGDIJOBE-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.90
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66086625
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395
1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66087790
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046
N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143250
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
CID 66146023
N-[2-(2-chlorophenyl)sulfanyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 66140977
1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 66086804
N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62693018

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine (CID 66086433) is N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine is CCCNC(CSc1cccc(C)c1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine?
The InChIKey is KSUOGASGDIJOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNS/c1-3-11-20-18(16-9-4-5-10-17(16)19)13-21-15-8-6-7-14(2)12-15/h4-10,12,18,20H,3,11,13H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine?
N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine has a molecular weight of 319.90 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine is sourced from PubChem (CID 66086433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).