N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine

C18H23NO2 — CID 155988342

IUPACN,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine
SMILESCc1ccc(Oc2ccccc2OCCCN(C)C)cc1
InChIInChI=1S/C18H23NO2/c1-15-9-11-16(12-10-15)21-18-8-5-4-7-17(18)20-14-6-13-19(2)3/h4-5,7-12H,6,13-14H2,1-3H3
InChIKeyBVGIRMZASMGDJS-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.12
Rot. Bonds7

About N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine

N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine (PubChem CID 155988342) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine
PubChem CID155988342
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine
SMILESCc1ccc(Oc2ccccc2OCCCN(C)C)cc1
InChIInChI=1S/C18H23NO2/c1-15-9-11-16(12-10-15)21-18-8-5-4-7-17(18)20-14-6-13-19(2)3/h4-5,7-12H,6,13-14H2,1-3H3
InChIKeyBVGIRMZASMGDJS-UHFFFAOYSA-N
XLogP4.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(2-phenylmethoxyphenoxy)benzene
CID 12993342
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine
CID 155988340
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
N,N-dimethyl-3-[3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]propan-1-amine
CID 90762189
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
1,5-bis(4-methylphenoxy)naphthalene;methane
CID 159940982
2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine
CID 155988336
N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine
CID 118530454
2-(2-phenoxyphenoxy)ethanamine
CID 18769450

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine (CID 155988342) is N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine is Cc1ccc(Oc2ccccc2OCCCN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine?
The InChIKey is BVGIRMZASMGDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15-9-11-16(12-10-15)21-18-8-5-4-7-17(18)20-14-6-13-19(2)3/h4-5,7-12H,6,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine?
N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine is sourced from PubChem (CID 155988342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).