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

C16H17Cl2N — CID 103602762

IUPACN-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
SMILESCCc1ccc(CNCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-2-12-3-5-13(6-4-12)10-19-11-14-7-8-15(17)9-16(14)18/h3-9,19H,2,10-11H2,1H3
InChIKeyZXEZFPCVHQYMQK-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.85
Rot. Bonds5

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

N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine (PubChem CID 103602762) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
PubChem CID103602762
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
SMILESCCc1ccc(CNCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-2-12-3-5-13(6-4-12)10-19-11-14-7-8-15(17)9-16(14)18/h3-9,19H,2,10-11H2,1H3
InChIKeyZXEZFPCVHQYMQK-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

N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209550
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol
CID 61237272
1-(3-bromo-4-methoxyphenyl)-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 55378408
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine
CID 114168462
2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115523434
N-[(2,4-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 60976282

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine (CID 103602762) is N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine is CCc1ccc(CNCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine?
The InChIKey is ZXEZFPCVHQYMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-2-12-3-5-13(6-4-12)10-19-11-14-7-8-15(17)9-16(14)18/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine?
N-[(2,4-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-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine is sourced from PubChem (CID 103602762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).