N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine

C15H22FNS — CID 79941806

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine
SMILESCC1CC(NC(c2ccc(F)cc2)C(C)C)CS1
InChIInChI=1S/C15H22FNS/c1-10(2)15(12-4-6-13(16)7-5-12)17-14-8-11(3)18-9-14/h4-7,10-11,14-15,17H,8-9H2,1-3H3
InChIKeyIMGFTSADUWFNAJ-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.01
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine

N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine (PubChem CID 79941806) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine
PubChem CID79941806
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine
SMILESCC1CC(NC(c2ccc(F)cc2)C(C)C)CS1
InChIInChI=1S/C15H22FNS/c1-10(2)15(12-4-6-13(16)7-5-12)17-14-8-11(3)18-9-14/h4-7,10-11,14-15,17H,8-9H2,1-3H3
InChIKeyIMGFTSADUWFNAJ-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine
CID 104859634
N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43685485
N-[1-(4-fluorophenyl)-2-methylpropyl]-2,3-dihydro-1H-inden-2-amine
CID 43685519
N-[1-(4-tert-butylphenyl)ethyl]-5-methylthiolan-3-amine
CID 79941615
N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine
CID 81402631
5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine
CID 79942182
5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine
CID 106209176
N-[1-(4-fluorophenyl)-2-methylpropyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842649
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine
CID 81377862
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine
CID 83693837

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine (CID 79941806) is N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine is CC1CC(NC(c2ccc(F)cc2)C(C)C)CS1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine?
The InChIKey is IMGFTSADUWFNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-10(2)15(12-4-6-13(16)7-5-12)17-14-8-11(3)18-9-14/h4-7,10-11,14-15,17H,8-9H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine?
N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine has a molecular weight of 267.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine is sourced from PubChem (CID 79941806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).