1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine

C9H10ClF2N — CID 84673745

IUPAC1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(C(F)F)ccc1Cl
InChIInChI=1S/C9H10ClF2N/c1-13-5-7-4-6(9(11)12)2-3-8(7)10/h2-4,9,13H,5H2,1H3
InChIKeyXOJAEEQTLUKNLT-UHFFFAOYSA-N
MW205.64 g/mol
LogP3.00
Rot. Bonds3

About 1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine

1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 84673745) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is 1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine
PubChem CID84673745
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(C(F)F)ccc1Cl
InChIInChI=1S/C9H10ClF2N/c1-13-5-7-4-6(9(11)12)2-3-8(7)10/h2-4,9,13H,5H2,1H3
InChIKeyXOJAEEQTLUKNLT-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine
CID 84670375
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 131739278
O-[2-[2-chloro-5-(difluoromethyl)phenyl]ethyl]hydroxylamine
CID 117317246
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
1-[2-chloro-5-(difluoromethyl)phenyl]ethanol
CID 84674717
N-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 102615662
N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 65316287
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 142068001
1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 115526020

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine (CID 84673745) is 1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine is CNCc1cc(C(F)F)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is XOJAEEQTLUKNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N/c1-13-5-7-4-6(9(11)12)2-3-8(7)10/h2-4,9,13H,5H2,1H3.
What are the key properties of 1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine?
1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 205.64 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 84673745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).