2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine

C16H27NS — CID 64609645

IUPAC2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
SMILESCCCCSC(CC)C(NCC)c1ccccc1
InChIInChI=1S/C16H27NS/c1-4-7-13-18-15(5-2)16(17-6-3)14-11-9-8-10-12-14/h8-12,15-17H,4-7,13H2,1-3H3
InChIKeyOOXVJXJCBCZHMD-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.65
Rot. Bonds9

About 2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine

2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine (PubChem CID 64609645) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
PubChem CID64609645
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
SMILESCCCCSC(CC)C(NCC)c1ccccc1
InChIInChI=1S/C16H27NS/c1-4-7-13-18-15(5-2)16(17-6-3)14-11-9-8-10-12-14/h8-12,15-17H,4-7,13H2,1-3H3
InChIKeyOOXVJXJCBCZHMD-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.65
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

N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64614895
2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64610891
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 66127944
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol
CID 64615452
N-ethyl-2-(3-methylbutylsulfanyl)-1-phenylbutan-1-amine
CID 107763889
N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine
CID 64649271
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol
CID 107772701
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 113374028
2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine
CID 64610486
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64632520
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine?
The IUPAC name of 2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine (CID 64609645) is 2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine is CCCCSC(CC)C(NCC)c1ccccc1.
What is the InChIKey of 2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine?
The InChIKey is OOXVJXJCBCZHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-7-13-18-15(5-2)16(17-6-3)14-11-9-8-10-12-14/h8-12,15-17H,4-7,13H2,1-3H3.
What are the key properties of 2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine?
2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 64609645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).