N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine

C16H17Cl2N — CID 106899463

IUPACN-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
SMILESCCc1ccc(CNCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-2-12-6-8-13(9-7-12)10-19-11-14-15(17)4-3-5-16(14)18/h3-9,19H,2,10-11H2,1H3
InChIKeyCNKXNPTWAKNAHK-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.85
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine

N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine (PubChem CID 106899463) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
PubChem CID106899463
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
SMILESCCc1ccc(CNCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-2-12-6-8-13(9-7-12)10-19-11-14-15(17)4-3-5-16(14)18/h3-9,19H,2,10-11H2,1H3
InChIKeyCNKXNPTWAKNAHK-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol
CID 115603316
4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 28538578
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068
N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine
CID 18728431
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[2-chloro-6-(4-ethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282834
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 103602762
N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
CID 63746803
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine
CID 63412435

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine (CID 106899463) is N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine is CCc1ccc(CNCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine?
The InChIKey is CNKXNPTWAKNAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-2-12-6-8-13(9-7-12)10-19-11-14-15(17)4-3-5-16(14)18/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine?
N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine has a molecular weight of 294.23 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine is sourced from PubChem (CID 106899463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).