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

C17H18ClF2N — CID 62514397

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccccc1F)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H18ClF2N/c1-21-11-12(9-13-5-2-3-7-16(13)19)10-14-15(18)6-4-8-17(14)20/h2-8,12,21H,9-11H2,1H3
InChIKeyAWZHUMONMADCFF-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.24
Rot. Bonds6

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

2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 62514397) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
PubChem CID62514397
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccccc1F)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H18ClF2N/c1-21-11-12(9-13-5-2-3-7-16(13)19)10-14-15(18)6-4-8-17(14)20/h2-8,12,21H,9-11H2,1H3
InChIKeyAWZHUMONMADCFF-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine
CID 62529664
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 63523145
2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine
CID 114933384
2-[(2-chloro-3-fluorophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 115984189
2-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-N-methylpropan-1-amine
CID 63000314
2-[(2,5-dimethylphenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62516825
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine
CID 107309633
2-[(2-chlorophenyl)methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 114348813
2-[(2-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049663
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine (CID 62514397) is 2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccccc1F)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is AWZHUMONMADCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-21-11-12(9-13-5-2-3-7-16(13)19)10-14-15(18)6-4-8-17(14)20/h2-8,12,21H,9-11H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine?
2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 309.79 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 62514397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).