N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine

C13H17ClFNS — CID 103761966

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCc1cccc(Cl)c1F
InChIInChI=1S/C13H17ClFNS/c1-17-12-7-3-6-11(12)16-8-9-4-2-5-10(14)13(9)15/h2,4-5,11-12,16H,3,6-8H2,1H3
InChIKeyOHYVLDNKZMPQBR-UHFFFAOYSA-N
MW273.80 g/mol
LogP3.85
Rot. Bonds4

About N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine

N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 103761966) has the molecular formula C13H17ClFNS and a molecular weight of 273.80 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID103761966
Molecular FormulaC13H17ClFNS
Molecular Weight273.80 g/mol
Exact Mass273.08
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCc1cccc(Cl)c1F
InChIInChI=1S/C13H17ClFNS/c1-17-12-7-3-6-11(12)16-8-9-4-2-5-10(14)13(9)15/h2,4-5,11-12,16H,3,6-8H2,1H3
InChIKeyOHYVLDNKZMPQBR-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 103923196
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103793218
N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 113262761
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776706
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 113243458
N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701269
N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277681
2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 103701066
N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 115695883
methyl 2-[[(2-methylsulfanylcyclohexyl)amino]methyl]benzoate
CID 103923201
N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115696357

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine (CID 103761966) is N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine is CSC1CCCC1NCc1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is OHYVLDNKZMPQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNS/c1-17-12-7-3-6-11(12)16-8-9-4-2-5-10(14)13(9)15/h2,4-5,11-12,16H,3,6-8H2,1H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine?
N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 273.80 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103761966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).