1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine

C14H19ClFNS — CID 114115807

IUPAC1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
SMILESCSC1(CNCc2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C14H19ClFNS/c1-18-14(7-2-3-8-14)10-17-9-11-12(15)5-4-6-13(11)16/h4-6,17H,2-3,7-10H2,1H3
InChIKeyHGOJWPSXNJSNGC-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.24
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine

1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine (PubChem CID 114115807) has the molecular formula C14H19ClFNS and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
PubChem CID114115807
Molecular FormulaC14H19ClFNS
Molecular Weight287.83 g/mol
Exact Mass287.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
SMILESCSC1(CNCc2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C14H19ClFNS/c1-18-14(7-2-3-8-14)10-17-9-11-12(15)5-4-6-13(11)16/h4-6,17H,2-3,7-10H2,1H3
InChIKeyHGOJWPSXNJSNGC-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[[(1-methylsulfanylcyclopropyl)methylamino]methyl]phenol
CID 107267317
1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267547
1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115787
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129346
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848486
tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243208
N-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981738
1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680411
N-[(2-chloro-6-fluorophenyl)methyl]-6-methylsulfanylhexan-1-amine
CID 114124984
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine
CID 113359870

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine (CID 114115807) is 1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine is CSC1(CNCc2c(F)cccc2Cl)CCCC1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
The InChIKey is HGOJWPSXNJSNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNS/c1-18-14(7-2-3-8-14)10-17-9-11-12(15)5-4-6-13(11)16/h4-6,17H,2-3,7-10H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine has a molecular weight of 287.83 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 114115807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).