N-ethyl-5-(2-methylphenoxy)pentan-1-amine

C14H23NO — CID 62452397

IUPACN-ethyl-5-(2-methylphenoxy)pentan-1-amine
SMILESCCNCCCCCOc1ccccc1C
InChIInChI=1S/C14H23NO/c1-3-15-11-7-4-8-12-16-14-10-6-5-9-13(14)2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3
InChIKeyURWBCFKZRHYCIT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.15
Rot. Bonds8

About N-ethyl-5-(2-methylphenoxy)pentan-1-amine

N-ethyl-5-(2-methylphenoxy)pentan-1-amine (PubChem CID 62452397) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethyl-5-(2-methylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-methylphenoxy)pentan-1-amine
PubChem CID62452397
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethyl-5-(2-methylphenoxy)pentan-1-amine
SMILESCCNCCCCCOc1ccccc1C
InChIInChI=1S/C14H23NO/c1-3-15-11-7-4-8-12-16-14-10-6-5-9-13(14)2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3
InChIKeyURWBCFKZRHYCIT-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.15
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-ethyl-2-[3-(2-methylphenoxy)propoxy]ethanamine
CID 82353873
N-[2-(2-methylphenoxy)ethyl]pentan-1-amine
CID 60684172
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine
CID 102986467
1-methyl-2-pentadecoxybenzene
CID 154641785
N-ethyl-5-(2-propan-2-ylphenoxy)pentan-1-amine
CID 55077101
4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62452410
5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine
CID 55161142
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091
N-ethyl-5-phenoxypentan-1-amine
CID 54394184
ethane;1-methyl-2-pentoxybenzene
CID 143283195
5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
CID 55077390

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-methylphenoxy)pentan-1-amine?
The IUPAC name of N-ethyl-5-(2-methylphenoxy)pentan-1-amine (CID 62452397) is N-ethyl-5-(2-methylphenoxy)pentan-1-amine.
What is the SMILES notation for N-ethyl-5-(2-methylphenoxy)pentan-1-amine?
The canonical SMILES for N-ethyl-5-(2-methylphenoxy)pentan-1-amine is CCNCCCCCOc1ccccc1C.
What is the InChIKey of N-ethyl-5-(2-methylphenoxy)pentan-1-amine?
The InChIKey is URWBCFKZRHYCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-15-11-7-4-8-12-16-14-10-6-5-9-13(14)2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-ethyl-5-(2-methylphenoxy)pentan-1-amine?
N-ethyl-5-(2-methylphenoxy)pentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-methylphenoxy)pentan-1-amine is sourced from PubChem (CID 62452397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).