2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine

C17H19Cl2NO2 — CID 54803505

IUPAC2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCC(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO2/c1-12(22-17-8-5-14(18)9-16(17)19)10-20-11-13-3-6-15(21-2)7-4-13/h3-9,12,20H,10-11H2,1-2H3
InChIKeyXDXGUCDSZVNVRJ-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.56
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine

2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 54803505) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine
PubChem CID54803505
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCC(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO2/c1-12(22-17-8-5-14(18)9-16(17)19)10-20-11-13-3-6-15(21-2)7-4-13/h3-9,12,20H,10-11H2,1-2H3
InChIKeyXDXGUCDSZVNVRJ-UHFFFAOYSA-N
XLogP4.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798982
2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 3120270
N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252801
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283286
N-benzyl-2-(3-chlorophenoxy)propan-1-amine
CID 55053571
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
4-chloro-N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 66091317
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724122
1-[(4-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
CID 82533366

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine (CID 54803505) is 2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine is COc1ccc(CNCC(C)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is XDXGUCDSZVNVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2/c1-12(22-17-8-5-14(18)9-16(17)19)10-20-11-13-3-6-15(21-2)7-4-13/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine?
2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 340.25 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 54803505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).