1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine

C16H15Cl2F2N — CID 115526020

IUPAC1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1cccc(C(F)F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2F2N/c1-10(12-5-6-14(17)15(18)8-12)21-9-11-3-2-4-13(7-11)16(19)20/h2-8,10,16,21H,9H2,1H3
InChIKeyNNRVKXULZVPFRG-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.78
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine

1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine (PubChem CID 115526020) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
PubChem CID115526020
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC Name1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
SMILESCC(NCc1cccc(C(F)F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2F2N/c1-10(12-5-6-14(17)15(18)8-12)21-9-11-3-2-4-13(7-11)16(19)20/h2-8,10,16,21H,9H2,1H3
InChIKeyNNRVKXULZVPFRG-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735
1-(3,4-dichlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine
CID 43079998
1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 43426655
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
CID 43200174
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 65022720
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221490
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
N-[[3-(difluoromethyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 113328734
5-[[1-(3,4-dichlorophenyl)ethylamino]methyl]-2-fluorobenzonitrile
CID 103859975
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 28645160
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine (CID 115526020) is 1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine is CC(NCc1cccc(C(F)F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is NNRVKXULZVPFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-10(12-5-6-14(17)15(18)8-12)21-9-11-3-2-4-13(7-11)16(19)20/h2-8,10,16,21H,9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine?
1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 330.21 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 115526020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).