3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine

C12H19NO — CID 23010535

IUPAC3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
SMILESCNCCCOc1cc(C)ccc1C
InChIInChI=1S/C12H19NO/c1-10-5-6-11(2)12(9-10)14-8-4-7-13-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyBKBGKOYBQVHGMX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.29
Rot. Bonds5

About 3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine

3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine (PubChem CID 23010535) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
PubChem CID23010535
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
SMILESCNCCCOc1cc(C)ccc1C
InChIInChI=1S/C12H19NO/c1-10-5-6-11(2)12(9-10)14-8-4-7-13-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyBKBGKOYBQVHGMX-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
1,4-dimethyl-2-pentoxybenzene
CID 59184214
5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
CID 62485519
5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide
CID 119500786
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796581
N-[2-(2,5-dimethylphenoxy)ethyl]-3-methylbutan-2-amine
CID 60690317
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
5-[3-(2,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097167
N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
CID 113100852
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine (CID 23010535) is 3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine is CNCCCOc1cc(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine?
The InChIKey is BKBGKOYBQVHGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-5-6-11(2)12(9-10)14-8-4-7-13-3/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine?
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 23010535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).