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

C17H19Cl2NO — CID 43224584

IUPACN-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1ccc(Cl)cc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C17H19Cl2NO/c1-3-17(12-5-8-15(21-2)9-6-12)20-11-13-4-7-14(18)10-16(13)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyZOLFOIULDZSINQ-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.24
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 43224584) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
PubChem CID43224584
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1ccc(Cl)cc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C17H19Cl2NO/c1-3-17(12-5-8-15(21-2)9-6-12)20-11-13-4-7-14(18)10-16(13)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyZOLFOIULDZSINQ-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 94024957
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 62121628
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376151
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 114855165
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43111206
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 43434316
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62050261
3-(2,4-dichlorophenyl)-1,2-bis(4-methoxyphenyl)propan-1-ol
CID 10251383
1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042604
2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 60818340
N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 115899650

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine (CID 43224584) is N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine is CCC(NCc1ccc(Cl)cc1Cl)c1ccc(OC)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is ZOLFOIULDZSINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-17(12-5-8-15(21-2)9-6-12)20-11-13-4-7-14(18)10-16(13)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine?
N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 324.25 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43224584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).