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

C14H23NO — CID 62455061

IUPAC5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1cccc(C)c1C
InChIInChI=1S/C14H23NO/c1-12-8-7-9-14(13(12)2)16-11-6-4-5-10-15-3/h7-9,15H,4-6,10-11H2,1-3H3
InChIKeyXPWQNJYYKVBYER-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds7

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

5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine (PubChem CID 62455061) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
PubChem CID62455061
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1cccc(C)c1C
InChIInChI=1S/C14H23NO/c1-12-8-7-9-14(13(12)2)16-11-6-4-5-10-15-3/h7-9,15H,4-6,10-11H2,1-3H3
InChIKeyXPWQNJYYKVBYER-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.07
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

1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838
5-(2-benzylphenoxy)-N-methylpentan-1-amine
CID 12660345
2-[4-(2,3-dimethylphenoxy)butylamino]ethanethiol;sulfuric acid
CID 71436049
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
CID 116690269
N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine
CID 82339438
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine?
The IUPAC name of 5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine (CID 62455061) is 5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine is CNCCCCCOc1cccc(C)c1C.
What is the InChIKey of 5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine?
The InChIKey is XPWQNJYYKVBYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-8-7-9-14(13(12)2)16-11-6-4-5-10-15-3/h7-9,15H,4-6,10-11H2,1-3H3.
What are the key properties of 5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine?
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 62455061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).