N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine

C14H12Cl3N — CID 4715652

IUPACN-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
SMILESClc1ccc(CNCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl3N/c15-12-6-5-11(14(17)7-12)9-18-8-10-3-1-2-4-13(10)16/h1-7,18H,8-9H2
InChIKeyOUIKPUAPYHYCLX-UHFFFAOYSA-N
MW300.62 g/mol
LogP4.94
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine

N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine (PubChem CID 4715652) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
PubChem CID4715652
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
SMILESClc1ccc(CNCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl3N/c15-12-6-5-11(14(17)7-12)9-18-8-10-3-1-2-4-13(10)16/h1-7,18H,8-9H2
InChIKeyOUIKPUAPYHYCLX-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.62
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine
CID 103792288
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209562
3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile
CID 102663839
2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457819
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine
CID 30053289
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 103602762
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine (CID 4715652) is N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine is Clc1ccc(CNCc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine?
The InChIKey is OUIKPUAPYHYCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c15-12-6-5-11(14(17)7-12)9-18-8-10-3-1-2-4-13(10)16/h1-7,18H,8-9H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine?
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine has a molecular weight of 300.62 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine is sourced from PubChem (CID 4715652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).