N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine

C15H24FNS — CID 65132971

IUPACN-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CSC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H24FNS/c1-5-10-17-14(11-18-15(2,3)4)12-6-8-13(16)9-7-12/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeyMZXIZUNBIHQSCE-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.40
Rot. Bonds6

About N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine

N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine (PubChem CID 65132971) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
PubChem CID65132971
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC NameN-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CSC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H24FNS/c1-5-10-17-14(11-18-15(2,3)4)12-6-8-13(16)9-7-12/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeyMZXIZUNBIHQSCE-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-tert-butylsulfanyl-1-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 65132746
N-[2-tert-butylsulfanyl-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 65132803
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
N-[2-tert-butylsulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propan-1-amine
CID 64612616
N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66051528
N-[2-tert-butylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 82770576
N-[2-(3-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 66160810
N-[1-(3-bromo-2,6-difluorophenyl)-2-tert-butylsulfanylethyl]propan-1-amine
CID 106942553
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 65132582
1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105088079
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine (CID 65132971) is N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine is CCCNC(CSC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is MZXIZUNBIHQSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-5-10-17-14(11-18-15(2,3)4)12-6-8-13(16)9-7-12/h6-9,14,17H,5,10-11H2,1-4H3.
What are the key properties of N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine?
N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butylsulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 65132971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).