N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine

C17H19Cl2NO — CID 105407067

IUPACN-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-11(2)20-10-13-5-4-12(3)17(6-13)21-16-8-14(18)7-15(19)9-16/h4-9,11,20H,10H2,1-3H3
InChIKeyPVJFXYNFHFBPGO-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.59
Rot. Bonds5

About N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine

N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine (PubChem CID 105407067) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine
PubChem CID105407067
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-11(2)20-10-13-5-4-12(3)17(6-13)21-16-8-14(18)7-15(19)9-16/h4-9,11,20H,10H2,1-3H3
InChIKeyPVJFXYNFHFBPGO-UHFFFAOYSA-N
XLogP5.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105407504
N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406580
N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552751
N-[[3-chloro-4-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107169860
N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine
CID 105407428
N-[[2-(3,5-dichlorophenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43622055
N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406547
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
N-[[4-(3-bromo-4-fluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 83233350
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
1-[3-(5-chloro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407414
N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 105406594

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine (CID 105407067) is N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine is Cc1ccc(CNC(C)C)cc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine?
The InChIKey is PVJFXYNFHFBPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-11(2)20-10-13-5-4-12(3)17(6-13)21-16-8-14(18)7-15(19)9-16/h4-9,11,20H,10H2,1-3H3.
What are the key properties of N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine?
N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine has a molecular weight of 324.25 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 105407067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).