1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine

C17H19Cl2NO — CID 65318748

IUPAC1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-16(20-2)14-6-4-5-7-17(14)21-11-12-10-13(18)8-9-15(12)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyLYVCEQXZMBLTGL-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.24
Rot. Bonds6

About 1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine

1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine (PubChem CID 65318748) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
PubChem CID65318748
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-16(20-2)14-6-4-5-7-17(14)21-11-12-10-13(18)8-9-15(12)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyLYVCEQXZMBLTGL-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-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 107305765
(1R)-1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 79005256
1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500974
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65318694
1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500622
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 103046950
3-[(2-butan-2-ylphenoxy)methyl]-4-chloroaniline
CID 43350156
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
[2-(2,5-dichlorophenyl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191268
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 61270632
1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine
CID 112678488

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine (CID 65318748) is 1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1OCc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The InChIKey is LYVCEQXZMBLTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-16(20-2)14-6-4-5-7-17(14)21-11-12-10-13(18)8-9-15(12)19/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-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 1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 65318748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).