2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine

C15H25NS — CID 64649608

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)Sc1cc(C)ccc1C
InChIInChI=1S/C15H25NS/c1-6-14(16-7-2)13(5)17-15-10-11(3)8-9-12(15)4/h8-10,13-14,16H,6-7H2,1-5H3
InChIKeyYETDKIWEUPTRFB-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.17
Rot. Bonds6

About 2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine

2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine (PubChem CID 64649608) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine
PubChem CID64649608
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)Sc1cc(C)ccc1C
InChIInChI=1S/C15H25NS/c1-6-14(16-7-2)13(5)17-15-10-11(3)8-9-12(15)4/h8-10,13-14,16H,6-7H2,1-5H3
InChIKeyYETDKIWEUPTRFB-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64650586
1-(2,5-dimethylphenyl)sulfanylethanamine
CID 117032475
2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine
CID 64639433
6-(2,5-dimethylphenyl)sulfanyl-N-ethylhexan-3-amine
CID 106808303
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
4-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 64718536
2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine
CID 117035500
4-(2,5-dimethylphenyl)sulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64711087
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine
CID 64650376
2-(3,4-dimethylphenyl)sulfanyl-N-methylpentan-3-amine
CID 64650723
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763423

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine (CID 64649608) is 2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine is CCNC(CC)C(C)Sc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine?
The InChIKey is YETDKIWEUPTRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-6-14(16-7-2)13(5)17-15-10-11(3)8-9-12(15)4/h8-10,13-14,16H,6-7H2,1-5H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine?
2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine has a molecular weight of 251.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine is sourced from PubChem (CID 64649608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).