N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine

C17H20ClNS — CID 115801336

IUPACN-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1ccccc1SC
InChIInChI=1S/C17H20ClNS/c1-3-12-19-17(13-8-4-6-10-15(13)18)14-9-5-7-11-16(14)20-2/h4-11,17,19H,3,12H2,1-2H3
InChIKeyWYLQGZWPYSQYKO-UHFFFAOYSA-N
MW305.87 g/mol
LogP5.15
Rot. Bonds6

About N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine

N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine (PubChem CID 115801336) has the molecular formula C17H20ClNS and a molecular weight of 305.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
PubChem CID115801336
Molecular FormulaC17H20ClNS
Molecular Weight305.87 g/mol
Exact Mass305.10
IUPAC NameN-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1ccccc1SC
InChIInChI=1S/C17H20ClNS/c1-3-12-19-17(13-8-4-6-10-15(13)18)14-9-5-7-11-16(14)20-2/h4-11,17,19H,3,12H2,1-2H3
InChIKeyWYLQGZWPYSQYKO-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.87
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 79214264
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 115800974
N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 115801024
N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 107102062
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115859835
N-[(3-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115791989
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 106762425
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
N-[(2-methylsulfanylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991415
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64715289

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine (CID 115801336) is N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1Cl)c1ccccc1SC.
What is the InChIKey of N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine?
The InChIKey is WYLQGZWPYSQYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNS/c1-3-12-19-17(13-8-4-6-10-15(13)18)14-9-5-7-11-16(14)20-2/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine?
N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine has a molecular weight of 305.87 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115801336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).