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

C14H21Cl2NS — CID 65128864

IUPAC1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(Cc1c(Cl)cccc1Cl)NCC
InChIInChI=1S/C14H21Cl2NS/c1-3-8-18-10-11(17-4-2)9-12-13(15)6-5-7-14(12)16/h5-7,11,17H,3-4,8-10H2,1-2H3
InChIKeyWULSWSQTZLQJKO-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.66
Rot. Bonds8

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

1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine (PubChem CID 65128864) has the molecular formula C14H21Cl2NS and a molecular weight of 306.30 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
PubChem CID65128864
Molecular FormulaC14H21Cl2NS
Molecular Weight306.30 g/mol
Exact Mass305.08
IUPAC Name1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(Cc1c(Cl)cccc1Cl)NCC
InChIInChI=1S/C14H21Cl2NS/c1-3-8-18-10-11(17-4-2)9-12-13(15)6-5-7-14(12)16/h5-7,11,17H,3-4,8-10H2,1-2H3
InChIKeyWULSWSQTZLQJKO-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.66
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-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65134967
1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128510
N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65129208
1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 64906804
1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 113470284
4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 79088008
N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736344
1-(2-bromo-6-chlorophenyl)-N-ethyl-2-propylsulfanylethanamine
CID 114269042
1-(3,5-dimethylphenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128565
1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455278
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine (CID 65128864) is 1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine is CCCSCC(Cc1c(Cl)cccc1Cl)NCC.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine?
The InChIKey is WULSWSQTZLQJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NS/c1-3-8-18-10-11(17-4-2)9-12-13(15)6-5-7-14(12)16/h5-7,11,17H,3-4,8-10H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine?
1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine has a molecular weight of 306.30 g/mol, XLogP of 4.66, 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-propylsulfanylpropan-2-amine is sourced from PubChem (CID 65128864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).