N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine

C14H22FNS — CID 114066197

IUPACN-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine
SMILESCCCSc1cccc(F)c1CNCC(C)C
InChIInChI=1S/C14H22FNS/c1-4-8-17-14-7-5-6-13(15)12(14)10-16-9-11(2)3/h5-7,11,16H,4,8-10H2,1-3H3
InChIKeyQHSWRXYYTMEYDV-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.07
Rot. Bonds7

About N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine

N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 114066197) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine
PubChem CID114066197
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC NameN-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine
SMILESCCCSc1cccc(F)c1CNCC(C)C
InChIInChI=1S/C14H22FNS/c1-4-8-17-14-7-5-6-13(15)12(14)10-16-9-11(2)3/h5-7,11,16H,4,8-10H2,1-3H3
InChIKeyQHSWRXYYTMEYDV-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-fluoro-2-[(2-methylpropylamino)methyl]phenyl]sulfanylpropan-1-ol
CID 114066348
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61043808
1-(2-fluoro-6-propylsulfanylphenyl)ethanamine
CID 43189262
2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 114933374
2-chloro-N-[(2,6-difluorophenyl)methyl]pentan-1-amine
CID 114934225
N-[[3-fluoro-2-(2-methylpropylsulfanyl)phenyl]methyl]-2-methylpropan-1-amine
CID 114070287
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylpropan-1-amine
CID 106942499
N-[(2-benzylsulfanyl-6-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 63805579
2-methyl-N-[(3-pentylsulfanylphenyl)methyl]propan-1-amine
CID 66349687
N-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981738
1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 136574533

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine (CID 114066197) is N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine is CCCSc1cccc(F)c1CNCC(C)C.
What is the InChIKey of N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is QHSWRXYYTMEYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-4-8-17-14-7-5-6-13(15)12(14)10-16-9-11(2)3/h5-7,11,16H,4,8-10H2,1-3H3.
What are the key properties of N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine?
N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114066197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).