2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine

C18H22FNS — CID 142025590

IUPAC2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine
SMILESCC(C)SNCC(C)(F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22FNS/c1-14(2)21-20-13-18(3,19)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,20H,13H2,1-3H3
InChIKeyLIIXYYZJQLLDDU-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.18
Rot. Bonds6

About 2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine

2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine (PubChem CID 142025590) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine
PubChem CID142025590
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC Name2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine
SMILESCC(C)SNCC(C)(F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22FNS/c1-14(2)21-20-13-18(3,19)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,20H,13H2,1-3H3
InChIKeyLIIXYYZJQLLDDU-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-fluoro-1-(propan-2-ylsulfanylamino)propan-2-yl]phenyl]benzonitrile
CID 142025629
N-[2-fluoro-2-[4-(4-isocyanophenyl)phenyl]propyl]propane-2-sulfonamide
CID 23567058
2-fluoro-2-(4-phenylphenyl)butan-1-amine
CID 112566065
1-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230
1-(1,1-dichloroethyl)-4-phenylbenzene
CID 15702295
1-(4-phenylphenyl)ethane-1,1-diol
CID 67813476
1-(2-iodopropan-2-yl)-4-phenylbenzene
CID 166661097
methyl (2S)-2,3,3,3-tetrafluoro-2-(4-phenylphenyl)propanoate
CID 98040440
2-methyl-2-(4-phenylphenyl)propan-1-amine
CID 56687090
2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 105495770
2-(4-phenylphenyl)propan-2-yloxymethanamine
CID 155337382
N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide
CID 22176572

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine?
The IUPAC name of 2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine (CID 142025590) is 2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for 2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine?
The canonical SMILES for 2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine is CC(C)SNCC(C)(F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine?
The InChIKey is LIIXYYZJQLLDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNS/c1-14(2)21-20-13-18(3,19)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,20H,13H2,1-3H3.
What are the key properties of 2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine?
2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-phenylphenyl)-N-propan-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 142025590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).