N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine

C16H13Cl4N — CID 63424961

IUPACN-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine
SMILESClc1cc(Cl)c(Cl)c(-c2ccccc2CNC2CC2)c1Cl
InChIInChI=1S/C16H13Cl4N/c17-12-7-13(18)16(20)14(15(12)19)11-4-2-1-3-9(11)8-21-10-5-6-10/h1-4,7,10,21H,5-6,8H2
InChIKeyFLBGGMBBNBUKTQ-UHFFFAOYSA-N
MW361.10 g/mol
LogP6.22
Rot. Bonds4

About N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine

N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine (PubChem CID 63424961) has the molecular formula C16H13Cl4N and a molecular weight of 361.10 g/mol. Its IUPAC name is N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine
PubChem CID63424961
Molecular FormulaC16H13Cl4N
Molecular Weight361.10 g/mol
Exact Mass358.98
IUPAC NameN-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine
SMILESClc1cc(Cl)c(Cl)c(-c2ccccc2CNC2CC2)c1Cl
InChIInChI=1S/C16H13Cl4N/c17-12-7-13(18)16(20)14(15(12)19)11-4-2-1-3-9(11)8-21-10-5-6-10/h1-4,7,10,21H,5-6,8H2
InChIKeyFLBGGMBBNBUKTQ-UHFFFAOYSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.10
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350078
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-[(2,3-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-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034434
N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 66023313
N-[[2-(4-propan-2-yloxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034453
N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine
CID 114879196

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine (CID 63424961) is N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine is Clc1cc(Cl)c(Cl)c(-c2ccccc2CNC2CC2)c1Cl.
What is the InChIKey of N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is FLBGGMBBNBUKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl4N/c17-12-7-13(18)16(20)14(15(12)19)11-4-2-1-3-9(11)8-21-10-5-6-10/h1-4,7,10,21H,5-6,8H2.
What are the key properties of N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine?
N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 361.10 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63424961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).