N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine

C14H22FNS — CID 63806767

IUPACN-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCSc1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C14H22FNS/c1-5-8-17-13-7-6-11(9-12(13)15)10-16-14(2,3)4/h6-7,9,16H,5,8,10H2,1-4H3
InChIKeyDSJDFOUCHQORMQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.22
Rot. Bonds5

About N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine

N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 63806767) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
PubChem CID63806767
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC NameN-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCSc1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C14H22FNS/c1-5-8-17-13-7-6-11(9-12(13)15)10-16-14(2,3)4/h6-7,9,16H,5,8,10H2,1-4H3
InChIKeyDSJDFOUCHQORMQ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 63806230
2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine
CID 63804855
N-[(4-butylsulfanyl-3-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 81160386
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891161
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline
CID 63551322
N-[(5-bromo-2-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 114062029
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051342
N-butyl-4-[(tert-butylamino)methyl]-2-fluoro-N-methylaniline
CID 63061057
N-[(4-bromo-2-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 55240564
1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol
CID 107688365

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine (CID 63806767) is N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine is CCCSc1ccc(CNC(C)(C)C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is DSJDFOUCHQORMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-5-8-17-13-7-6-11(9-12(13)15)10-16-14(2,3)4/h6-7,9,16H,5,8,10H2,1-4H3.
What are the key properties of N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine?
N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 255.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63806767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).