1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride

C9H10Cl2F3N — CID 131739278

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(C(F)(F)F)ccc1Cl.Cl
InChIInChI=1S/C9H9ClF3N.ClH/c1-14-5-6-4-7(9(11,12)13)2-3-8(6)10;/h2-4,14H,5H2,1H3;1H
InChIKeyDCKGDKUDSDWWRV-UHFFFAOYSA-N
MW260.09 g/mol
LogP3.50
Rot. Bonds2

About 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride

1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride (PubChem CID 131739278) has the molecular formula C9H10Cl2F3N and a molecular weight of 260.09 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
PubChem CID131739278
Molecular FormulaC9H10Cl2F3N
Molecular Weight260.09 g/mol
Exact Mass259.01
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(C(F)(F)F)ccc1Cl.Cl
InChIInChI=1S/C9H9ClF3N.ClH/c1-14-5-6-4-7(9(11,12)13)2-3-8(6)10;/h2-4,14H,5H2,1H3;1H
InChIKeyDCKGDKUDSDWWRV-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
CID 148766758
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84673745
potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide
CID 171374127
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonate
CID 59623726
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride
CID 143805347
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
4-[2-chloro-5-(trifluoromethyl)phenyl]butan-2-one
CID 82297621
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84707989
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 75431904
2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]propanedioic acid
CID 170895454

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride (CID 131739278) is 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride is CNCc1cc(C(F)(F)F)ccc1Cl.Cl.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride?
The InChIKey is DCKGDKUDSDWWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N.ClH/c1-14-5-6-4-7(9(11,12)13)2-3-8(6)10;/h2-4,14H,5H2,1H3;1H.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride?
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride has a molecular weight of 260.09 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 131739278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).