1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine

C13H20ClNOS — CID 107511567

IUPAC1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CSCc1ccccc1Cl
InChIInChI=1S/C13H20ClNOS/c1-3-15-12(8-16-2)10-17-9-11-6-4-5-7-13(11)14/h4-7,12,15H,3,8-10H2,1-2H3
InChIKeyOFVBWCZKDPUUTF-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.20
Rot. Bonds8

About 1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine

1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine (PubChem CID 107511567) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
PubChem CID107511567
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CSCc1ccccc1Cl
InChIInChI=1S/C13H20ClNOS/c1-3-15-12(8-16-2)10-17-9-11-6-4-5-7-13(11)14/h4-7,12,15H,3,8-10H2,1-2H3
InChIKeyOFVBWCZKDPUUTF-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine
CID 103291082
ethyl 3-[(2-chlorophenyl)methylsulfanyl]-2-(ethylamino)propanoate
CID 103289594
3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol
CID 103291354
1-methoxy-N-methyl-3-[(2-methylphenyl)methylsulfanyl]propan-2-amine
CID 107511414
1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
CID 107511520
N-[2-[(2-chlorophenyl)methylsulfanyl]-1-phenylethyl]propan-1-amine
CID 103291043
3-[(2-chlorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226526
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 103290948
2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine
CID 103291071
1-[2-(bromomethyl)pentylsulfanylmethyl]-2-chlorobenzene
CID 103288085
4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine
CID 62318544
methyl 4-[(2-chlorophenyl)methylsulfanyl]-2-(ethylamino)-2-methylbutanoate
CID 103289736

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine (CID 107511567) is 1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine is CCNC(COC)CSCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine?
The InChIKey is OFVBWCZKDPUUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-3-15-12(8-16-2)10-17-9-11-6-4-5-7-13(11)14/h4-7,12,15H,3,8-10H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine?
1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine has a molecular weight of 273.83 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine is sourced from PubChem (CID 107511567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).