N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine

C19H24ClNO — CID 2182131

IUPACN-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine
SMILESCc1cc(OCCCN(C)Cc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C19H24ClNO/c1-15-12-18(13-16(2)19(15)20)22-11-7-10-21(3)14-17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3
InChIKeyQAUWMYDJSQFXLZ-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.86
Rot. Bonds7

About N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine

N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine (PubChem CID 2182131) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine
PubChem CID2182131
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC NameN-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine
SMILESCc1cc(OCCCN(C)Cc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C19H24ClNO/c1-15-12-18(13-16(2)19(15)20)22-11-7-10-21(3)14-17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3
InChIKeyQAUWMYDJSQFXLZ-UHFFFAOYSA-N
XLogP4.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749
N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)ethanamine
CID 39394396
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
N-benzyl-N-methyl-4-(2,3,5-trimethylphenoxy)butan-1-amine
CID 2182140
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
bis[3-[benzyl(methyl)amino]propyl] carbonate
CID 18944362
[3-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 22683215
phenyl 4-(4-chloro-3,5-dimethylphenoxy)butanoate
CID 19206113
3-[[3-(4-chlorophenoxy)propyl-methylamino]methyl]benzoic acid
CID 122028769
3-[3-[(4-chlorophenyl)methyl-methylamino]propoxy]aniline
CID 61414637

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine?
The IUPAC name of N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine (CID 2182131) is N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine?
The canonical SMILES for N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine is Cc1cc(OCCCN(C)Cc2ccccc2)cc(C)c1Cl.
What is the InChIKey of N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine?
The InChIKey is QAUWMYDJSQFXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-15-12-18(13-16(2)19(15)20)22-11-7-10-21(3)14-17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3.
What are the key properties of N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine?
N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine has a molecular weight of 317.86 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 2182131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).