N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine

C16H27NS — CID 64612135

IUPACN-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)SCC(C)C
InChIInChI=1S/C16H27NS/c1-6-17-16(14(5)18-11-12(2)3)15-9-7-13(4)8-10-15/h7-10,12,14,16-17H,6,11H2,1-5H3
InChIKeyOAYZIBZCSVTBES-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.42
Rot. Bonds7

About N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine

N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine (PubChem CID 64612135) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
PubChem CID64612135
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)SCC(C)C
InChIInChI=1S/C16H27NS/c1-6-17-16(14(5)18-11-12(2)3)15-9-7-13(4)8-10-15/h7-10,12,14,16-17H,6,11H2,1-5H3
InChIKeyOAYZIBZCSVTBES-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 64611477
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine
CID 79333225
2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 64614946
N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine
CID 64633884
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 107762569
N-ethyl-2-(3-methylbutylsulfonyl)-1-(4-methylphenyl)propan-1-amine
CID 107760277
2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine
CID 64627775
N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine
CID 64614912
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine (CID 64612135) is N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine is CCNC(c1ccc(C)cc1)C(C)SCC(C)C.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine?
The InChIKey is OAYZIBZCSVTBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-6-17-16(14(5)18-11-12(2)3)15-9-7-13(4)8-10-15/h7-10,12,14,16-17H,6,11H2,1-5H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine?
N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine is sourced from PubChem (CID 64612135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).