N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine

C12H17ClFNO — CID 115656308

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFNO/c1-12(2,16-3)8-15-7-9-10(13)5-4-6-11(9)14/h4-6,15H,7-8H2,1-3H3
InChIKeyYVOCVNVBROWBGD-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.99
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine

N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 115656308) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
PubChem CID115656308
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFNO/c1-12(2,16-3)8-15-7-9-10(13)5-4-6-11(9)14/h4-6,15H,7-8H2,1-3H3
InChIKeyYVOCVNVBROWBGD-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine
CID 65024044
N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656052
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031231
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 39402896
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 115405686
N'-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215446
methyl 4-[(2-chloro-6-fluorophenyl)methylamino]benzoate
CID 43087990
1-[(2,6-difluorophenyl)methylamino]-2-methylpropan-2-ol
CID 63933107
1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine
CID 60702242
1-(2-chloro-6-fluorophenyl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031888

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine (CID 115656308) is N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is YVOCVNVBROWBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-12(2,16-3)8-15-7-9-10(13)5-4-6-11(9)14/h4-6,15H,7-8H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine has a molecular weight of 245.72 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 115656308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).