N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine

C18H21Cl2N — CID 43111206

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NCCc1ccc(Cl)cc1Cl)c1ccc(C)cc1
InChIInChI=1S/C18H21Cl2N/c1-3-18(15-6-4-13(2)5-7-15)21-11-10-14-8-9-16(19)12-17(14)20/h4-9,12,18,21H,3,10-11H2,1-2H3
InChIKeyAICXIPFGNSHBDV-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.59
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine

N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine (PubChem CID 43111206) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
PubChem CID43111206
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NCCc1ccc(Cl)cc1Cl)c1ccc(C)cc1
InChIInChI=1S/C18H21Cl2N/c1-3-18(15-6-4-13(2)5-7-15)21-11-10-14-8-9-16(19)12-17(14)20/h4-9,12,18,21H,3,10-11H2,1-2H3
InChIKeyAICXIPFGNSHBDV-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 28532239
2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
CID 43098482
N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43224584
5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107704995
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 114879199
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43102822
N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115840283
1-(4-chlorophenyl)-N-(3-ethylsulfanylpropyl)propan-1-amine
CID 113246417
1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960076
3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400282

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine (CID 43111206) is N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine is CCC(NCCc1ccc(Cl)cc1Cl)c1ccc(C)cc1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine?
The InChIKey is AICXIPFGNSHBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-3-18(15-6-4-13(2)5-7-15)21-11-10-14-8-9-16(19)12-17(14)20/h4-9,12,18,21H,3,10-11H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine has a molecular weight of 322.28 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 43111206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).