N-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine

C17H19F2NS — CID 135227948

IUPACN-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine
SMILESCC(C)(C)SNC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2NS/c1-17(2,3)21-20-16(12-4-8-14(18)9-5-12)13-6-10-15(19)11-7-13/h4-11,16,20H,1-3H3
InChIKeyFQXZLWQCEBVVQR-UHFFFAOYSA-N
MW307.41 g/mol
LogP5.09
Rot. Bonds4

About N-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine

N-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine (PubChem CID 135227948) has the molecular formula C17H19F2NS and a molecular weight of 307.41 g/mol. Its IUPAC name is N-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine
PubChem CID135227948
Molecular FormulaC17H19F2NS
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC NameN-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine
SMILESCC(C)(C)SNC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2NS/c1-17(2,3)21-20-16(12-4-8-14(18)9-5-12)13-6-10-15(19)11-7-13/h4-11,16,20H,1-3H3
InChIKeyFQXZLWQCEBVVQR-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.41
LogP ≤ 55.09
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

N-tert-butylsulfanyl-1-(4-fluorophenyl)ethanamine
CID 163960360
N-tert-butylsulfanyl-1-(3-chloro-4-fluorophenyl)-1-(5-chloro-3-pyridinyl)methanamine
CID 166899488
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
[(4-fluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105284116
1-(4-fluorophenyl)-N-methylsulfanylethanamine
CID 155699559
N-tert-butylsulfanyl-4-[(4-fluoroanilino)methyl]aniline
CID 59231337
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene
CID 61083124
(1S)-N-tert-butylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanamine
CID 89207629
(1S)-N-tert-butylsulfanyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 174916016
N-tert-butylsulfanyl-2,2,2-trifluoro-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 168898397
N-[bis(4-fluorophenyl)methyl]butan-2-amine
CID 170075014

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine?
The IUPAC name of N-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine (CID 135227948) is N-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine.
What is the SMILES notation for N-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine?
The canonical SMILES for N-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine is CC(C)(C)SNC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine?
The InChIKey is FQXZLWQCEBVVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NS/c1-17(2,3)21-20-16(12-4-8-14(18)9-5-12)13-6-10-15(19)11-7-13/h4-11,16,20H,1-3H3.
What are the key properties of N-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine?
N-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine has a molecular weight of 307.41 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfanyl-1,1-bis(4-fluorophenyl)methanamine is sourced from PubChem (CID 135227948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).