2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline

C14H21FN2S — CID 114068816

IUPAC2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline
SMILESCSCCN(C)c1c(F)cccc1CNC1CC1
InChIInChI=1S/C14H21FN2S/c1-17(8-9-18-2)14-11(4-3-5-13(14)15)10-16-12-6-7-12/h3-5,12,16H,6-10H2,1-2H3
InChIKeyMUJZDYNRESMQIC-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.88
Rot. Bonds7

About 2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline

2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline (PubChem CID 114068816) has the molecular formula C14H21FN2S and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline
PubChem CID114068816
Molecular FormulaC14H21FN2S
Molecular Weight268.40 g/mol
Exact Mass268.14
IUPAC Name2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline
SMILESCSCCN(C)c1c(F)cccc1CNC1CC1
InChIInChI=1S/C14H21FN2S/c1-17(8-9-18-2)14-11(4-3-5-13(14)15)10-16-12-6-7-12/h3-5,12,16H,6-10H2,1-2H3
InChIKeyMUJZDYNRESMQIC-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)aniline
CID 115986246
2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
CID 83295501
N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701474
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112662259
N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806637
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate
CID 112609795
6-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 62295485
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81249517

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline?
The IUPAC name of 2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline (CID 114068816) is 2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline is CSCCN(C)c1c(F)cccc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline?
The InChIKey is MUJZDYNRESMQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2S/c1-17(8-9-18-2)14-11(4-3-5-13(14)15)10-16-12-6-7-12/h3-5,12,16H,6-10H2,1-2H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline?
2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline has a molecular weight of 268.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-6-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline is sourced from PubChem (CID 114068816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).