1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine

C14H22ClNS — CID 65128510

IUPAC1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(Cc1cccc(Cl)c1)NCC
InChIInChI=1S/C14H22ClNS/c1-3-8-17-11-14(16-4-2)10-12-6-5-7-13(15)9-12/h5-7,9,14,16H,3-4,8,10-11H2,1-2H3
InChIKeySKOIHVLHYVERLU-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.00
Rot. Bonds8

About 1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine

1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine (PubChem CID 65128510) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
PubChem CID65128510
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(Cc1cccc(Cl)c1)NCC
InChIInChI=1S/C14H22ClNS/c1-3-8-17-11-14(16-4-2)10-12-6-5-7-13(15)9-12/h5-7,9,14,16H,3-4,8,10-11H2,1-2H3
InChIKeySKOIHVLHYVERLU-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128864
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736344
1-(3,5-dimethylphenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128565
1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 61392785
1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128704
1-(3,5-difluorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 105406250
1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 55095489
1-butan-2-ylsulfanyl-3-(3-chlorophenyl)-N-propylpropan-2-amine
CID 65136450

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine (CID 65128510) is 1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine is CCCSCC(Cc1cccc(Cl)c1)NCC.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine?
The InChIKey is SKOIHVLHYVERLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-3-8-17-11-14(16-4-2)10-12-6-5-7-13(15)9-12/h5-7,9,14,16H,3-4,8,10-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine?
1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine has a molecular weight of 271.86 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine is sourced from PubChem (CID 65128510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).