N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine

C15H24ClNOS — CID 79698032

IUPACN-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC(C)C)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H24ClNOS/c1-5-8-17-14(10-19-11(2)3)12-6-7-13(16)15(9-12)18-4/h6-7,9,11,14,17H,5,8,10H2,1-4H3
InChIKeyZFNHUVQMFAQNOR-UHFFFAOYSA-N
MW301.88 g/mol
LogP4.53
Rot. Bonds8

About N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine

N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine (PubChem CID 79698032) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
PubChem CID79698032
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC NameN-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC(C)C)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H24ClNOS/c1-5-8-17-14(10-19-11(2)3)12-6-7-13(16)15(9-12)18-4/h6-7,9,11,14,17H,5,8,10H2,1-4H3
InChIKeyZFNHUVQMFAQNOR-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine
CID 79700435
N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465
N-[1-[4-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699320
N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 79700355
1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
CID 79697774
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-propylsulfanylethanamine
CID 79697204
1-(3-chloro-4-methoxyphenyl)-N-propylethane-1,2-diamine
CID 65021451
4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 79698312
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105164508
N-[1-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65136905
N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 79700808

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine (CID 79698032) is N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine is CCCNC(CSC(C)C)c1ccc(Cl)c(OC)c1.
What is the InChIKey of N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine?
The InChIKey is ZFNHUVQMFAQNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-5-8-17-14(10-19-11(2)3)12-6-7-13(16)15(9-12)18-4/h6-7,9,11,14,17H,5,8,10H2,1-4H3.
What are the key properties of N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine?
N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine has a molecular weight of 301.88 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 79698032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).