N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine

C15H25NS — CID 115666749

IUPACN-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine
SMILESCCSCCCNC(C)c1ccc(CC)cc1
InChIInChI=1S/C15H25NS/c1-4-14-7-9-15(10-8-14)13(3)16-11-6-12-17-5-2/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyNVMSKMBZZALFBM-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.04
Rot. Bonds8

About N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine

N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine (PubChem CID 115666749) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine
PubChem CID115666749
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine
SMILESCCSCCCNC(C)c1ccc(CC)cc1
InChIInChI=1S/C15H25NS/c1-4-14-7-9-15(10-8-14)13(3)16-11-6-12-17-5-2/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyNVMSKMBZZALFBM-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethylsulfanyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 116503707
N-[(1S)-1-(4-bromophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 104863351
3-ethylsulfanyl-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115900079
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-[1-(3,4-difluorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 113350434
N-[1-(3-chlorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115899474
N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115666747
N-[2-[1-(4-ethylphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203024
1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720633
N-[1-[4-(4-ethylphenoxy)phenyl]ethyl]propan-1-amine
CID 43285379
N-[3-[1-(3-ethylsulfanylpropylamino)ethyl]phenyl]acetamide
CID 115900103

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine (CID 115666749) is N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine is CCSCCCNC(C)c1ccc(CC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine?
The InChIKey is NVMSKMBZZALFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-14-7-9-15(10-8-14)13(3)16-11-6-12-17-5-2/h7-10,13,16H,4-6,11-12H2,1-3H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine?
N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-3-ethylsulfanylpropan-1-amine is sourced from PubChem (CID 115666749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).