2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine

C11H14Cl2FNO — CID 65024044

IUPAC2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine
SMILESCOCC(Cl)CNCc1c(F)cccc1Cl
InChIInChI=1S/C11H14Cl2FNO/c1-16-7-8(12)5-15-6-9-10(13)3-2-4-11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyAANWQFMHJVFKNX-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.82
Rot. Bonds6

About 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine (PubChem CID 65024044) has the molecular formula C11H14Cl2FNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine
PubChem CID65024044
Molecular FormulaC11H14Cl2FNO
Molecular Weight266.14 g/mol
Exact Mass265.04
IUPAC Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine
SMILESCOCC(Cl)CNCc1c(F)cccc1Cl
InChIInChI=1S/C11H14Cl2FNO/c1-16-7-8(12)5-15-6-9-10(13)3-2-4-11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyAANWQFMHJVFKNX-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 115405686
3-chloro-N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-1-amine
CID 106242412
N-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981738
2-chloro-N-[(2,6-difluorophenyl)methyl]pentan-1-amine
CID 114934225
2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine
CID 65024159
N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656308
2-(3-chloro-4-methoxybutyl)-1,3-difluorobenzene
CID 114933132
2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112683507
1-[2-[(2-chloro-6-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294846
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665475

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine?
The IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine (CID 65024044) is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine is COCC(Cl)CNCc1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine?
The InChIKey is AANWQFMHJVFKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2FNO/c1-16-7-8(12)5-15-6-9-10(13)3-2-4-11(9)14/h2-4,8,15H,5-7H2,1H3.
What are the key properties of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine?
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine has a molecular weight of 266.14 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 65024044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).