1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine

C10H13ClFN — CID 84670375

IUPAC1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(C(C)F)cc1Cl
InChIInChI=1S/C10H13ClFN/c1-7(12)8-3-4-9(6-13-2)10(11)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyODDKJHALHRGYKO-UHFFFAOYSA-N
MW201.67 g/mol
LogP3.09
Rot. Bonds3

About 1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine

1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine (PubChem CID 84670375) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine
PubChem CID84670375
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(C(C)F)cc1Cl
InChIInChI=1S/C10H13ClFN/c1-7(12)8-3-4-9(6-13-2)10(11)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyODDKJHALHRGYKO-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84673745
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
1-[[2-chloro-4-(1-fluoroethyl)phenyl]methyl]piperazine
CID 117395462
1-[2-chloro-4-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
CID 107476855
1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine
CID 117430146
1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
CID 70310877
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
methyl N-[(2-chloro-4-propan-2-ylphenyl)methyl]carbamate
CID 22975171
1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine
CID 114064942
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 106862514
4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol
CID 117280151
1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride
CID 174326985

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine (CID 84670375) is 1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine is CNCc1ccc(C(C)F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine?
The InChIKey is ODDKJHALHRGYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-7(12)8-3-4-9(6-13-2)10(11)5-8/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine?
1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine has a molecular weight of 201.67 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 84670375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).