1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine

C14H22FNS — CID 55015180

IUPAC1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine
SMILESCCC(C)SC(c1ccc(F)cc1)C(N)CC
InChIInChI=1S/C14H22FNS/c1-4-10(3)17-14(13(16)5-2)11-6-8-12(15)9-7-11/h6-10,13-14H,4-5,16H2,1-3H3
InChIKeySYJHDRDPYKJLAI-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.14
Rot. Bonds6

About 1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine

1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine (PubChem CID 55015180) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine
PubChem CID55015180
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC Name1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine
SMILESCCC(C)SC(c1ccc(F)cc1)C(N)CC
InChIInChI=1S/C14H22FNS/c1-4-10(3)17-14(13(16)5-2)11-6-8-12(15)9-7-11/h6-10,13-14H,4-5,16H2,1-3H3
InChIKeySYJHDRDPYKJLAI-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-1-phenylsulfanylbutan-2-amine
CID 55015175
ethyl 2-[2-amino-1-(4-fluorophenyl)butyl]sulfanylacetate
CID 55014940
1-(4-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106922037
3-(4-fluorophenyl)pentan-2-amine
CID 66437850
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
1-N-[(1S)-1-(4-fluorophenyl)ethyl]butane-1,2-diamine
CID 91565963
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
1-(4-fluorophenyl)pentane-1,4-diamine
CID 116934284
3-(4-fluorophenyl)heptan-4-amine
CID 83047471
2-butan-2-ylsulfanylpentan-3-amine
CID 64613429

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine (CID 55015180) is 1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine is CCC(C)SC(c1ccc(F)cc1)C(N)CC.
What is the InChIKey of 1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine?
The InChIKey is SYJHDRDPYKJLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-4-10(3)17-14(13(16)5-2)11-6-8-12(15)9-7-11/h6-10,13-14H,4-5,16H2,1-3H3.
What are the key properties of 1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine?
1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine has a molecular weight of 255.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-1-(4-fluorophenyl)butan-2-amine is sourced from PubChem (CID 55015180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).