N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine

C16H14Cl3N — CID 105350078

IUPACN-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
SMILESClc1cc(Cl)c(-c2ccccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C16H14Cl3N/c17-11-7-14(18)16(15(19)8-11)13-4-2-1-3-10(13)9-20-12-5-6-12/h1-4,7-8,12,20H,5-6,9H2
InChIKeyUDOFELVYEPCCHB-UHFFFAOYSA-N
MW326.65 g/mol
LogP5.57
Rot. Bonds4

About N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine

N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine (PubChem CID 105350078) has the molecular formula C16H14Cl3N and a molecular weight of 326.65 g/mol. Its IUPAC name is N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
PubChem CID105350078
Molecular FormulaC16H14Cl3N
Molecular Weight326.65 g/mol
Exact Mass325.02
IUPAC NameN-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
SMILESClc1cc(Cl)c(-c2ccccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C16H14Cl3N/c17-11-7-14(18)16(15(19)8-11)13-4-2-1-3-10(13)9-20-12-5-6-12/h1-4,7-8,12,20H,5-6,9H2
InChIKeyUDOFELVYEPCCHB-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.65
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine
CID 63424961
N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 115484384
N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 115504969
N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 115503138
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350055
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
N-[[2-(furan-3-yl)phenyl]methyl]cyclopropanamine
CID 63948734
N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 62801536
N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine
CID 114879196
N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034434
N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine
CID 82449427

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine (CID 105350078) is N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine is Clc1cc(Cl)c(-c2ccccc2CNC2CC2)c(Cl)c1.
What is the InChIKey of N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is UDOFELVYEPCCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3N/c17-11-7-14(18)16(15(19)8-11)13-4-2-1-3-10(13)9-20-12-5-6-12/h1-4,7-8,12,20H,5-6,9H2.
What are the key properties of N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine?
N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 326.65 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 105350078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).