N-methyl-N-(2-phenoxyethyl)dodecan-1-amine

C21H37NO — CID 22949982

IUPACN-methyl-N-(2-phenoxyethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(C)CCOc1ccccc1
InChIInChI=1S/C21H37NO/c1-3-4-5-6-7-8-9-10-11-15-18-22(2)19-20-23-21-16-13-12-14-17-21/h12-14,16-17H,3-11,15,18-20H2,1-2H3
InChIKeyOAWSUAYGJRJWEL-UHFFFAOYSA-N
MW319.53 g/mol
LogP5.92
Rot. Bonds15

About N-methyl-N-(2-phenoxyethyl)dodecan-1-amine

N-methyl-N-(2-phenoxyethyl)dodecan-1-amine (PubChem CID 22949982) has the molecular formula C21H37NO and a molecular weight of 319.53 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)dodecan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)dodecan-1-amine
PubChem CID22949982
Molecular FormulaC21H37NO
Molecular Weight319.53 g/mol
Exact Mass319.29
IUPAC NameN-methyl-N-(2-phenoxyethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(C)CCOc1ccccc1
InChIInChI=1S/C21H37NO/c1-3-4-5-6-7-8-9-10-11-15-18-22(2)19-20-23-21-16-13-12-14-17-21/h12-14,16-17H,3-11,15,18-20H2,1-2H3
InChIKeyOAWSUAYGJRJWEL-UHFFFAOYSA-N
XLogP5.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.53
LogP ≤ 55.92
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

Pramoxine
CID 4886
Domiphen Bromide
CID 10866
Pramoxine Hydrochloride
CID 73957
Bephenium
CID 19667
N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium
CID 3149
Guaiactamine
CID 36190
Methyl(2-phenoxyethyl)amine
CID 37732
Guaiapate
CID 70066
1-(4-Phenoxybutyl)piperidine
CID 2057411
1-[2-(2-Ethylphenoxy)ethyl]azepane hydrochloride
CID 71526742
(2-Dimethylaminoethoxy)benzene
CID 26050
Pyrrolidine, 1-(2-(2-(o-methoxyphenoxy)ethoxy)ethyl)-
CID 120394

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)dodecan-1-amine?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)dodecan-1-amine (CID 22949982) is N-methyl-N-(2-phenoxyethyl)dodecan-1-amine.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)dodecan-1-amine?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)dodecan-1-amine is CCCCCCCCCCCCN(C)CCOc1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)dodecan-1-amine?
The InChIKey is OAWSUAYGJRJWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO/c1-3-4-5-6-7-8-9-10-11-15-18-22(2)19-20-23-21-16-13-12-14-17-21/h12-14,16-17H,3-11,15,18-20H2,1-2H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)dodecan-1-amine?
N-methyl-N-(2-phenoxyethyl)dodecan-1-amine has a molecular weight of 319.53 g/mol, XLogP of 5.92, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)dodecan-1-amine is sourced from PubChem (CID 22949982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).