N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine

C18H23NS — CID 63531998

IUPACN-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Sc1ccccc1C
InChIInChI=1S/C18H23NS/c1-4-13-19-15(3)16-10-6-8-12-18(16)20-17-11-7-5-9-14(17)2/h5-12,15,19H,4,13H2,1-3H3
InChIKeyWDTRGSWZLVMRSP-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.21
Rot. Bonds6

About N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine

N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine (PubChem CID 63531998) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine
PubChem CID63531998
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Sc1ccccc1C
InChIInChI=1S/C18H23NS/c1-4-13-19-15(3)16-10-6-8-12-18(16)20-17-11-7-5-9-14(17)2/h5-12,15,19H,4,13H2,1-3H3
InChIKeyWDTRGSWZLVMRSP-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine
CID 43286135
N-[1-(2-pyridin-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286336
N-[1-[3-bromo-4-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 63532313
N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine
CID 107984713
N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 43286252
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine
CID 43286383
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
4-ethyl-3-[2-[1-(propylamino)ethyl]phenyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 62883946
N-[1-[4-bromo-2-(2-chlorophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 82955742
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
CID 82941407
N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine
CID 63409223

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine (CID 63531998) is N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1Sc1ccccc1C.
What is the InChIKey of N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine?
The InChIKey is WDTRGSWZLVMRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-4-13-19-15(3)16-10-6-8-12-18(16)20-17-11-7-5-9-14(17)2/h5-12,15,19H,4,13H2,1-3H3.
What are the key properties of N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine?
N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63531998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).