5-(2-ethylphenoxy)-N-methylpentan-1-amine

C14H23NO — CID 62486252

IUPAC5-(2-ethylphenoxy)-N-methylpentan-1-amine
SMILESCCc1ccccc1OCCCCCNC
InChIInChI=1S/C14H23NO/c1-3-13-9-5-6-10-14(13)16-12-8-4-7-11-15-2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3
InChIKeyWVDWYBJGJQXGBG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds8

About 5-(2-ethylphenoxy)-N-methylpentan-1-amine

5-(2-ethylphenoxy)-N-methylpentan-1-amine (PubChem CID 62486252) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-(2-ethylphenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2-ethylphenoxy)-N-methylpentan-1-amine
PubChem CID62486252
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-(2-ethylphenoxy)-N-methylpentan-1-amine
SMILESCCc1ccccc1OCCCCCNC
InChIInChI=1S/C14H23NO/c1-3-13-9-5-6-10-14(13)16-12-8-4-7-11-15-2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3
InChIKeyWVDWYBJGJQXGBG-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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

2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
5-(2-benzylphenoxy)-N-methylpentan-1-amine
CID 12660345
1-ethyl-2-heptoxybenzene
CID 22723794
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
N-methyl-4-[2-[(4-methylphenyl)methyl]phenoxy]butan-1-amine
CID 12660349
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
N-methyl-4-[2-[(4-methylphenyl)methyl]phenoxy]butan-1-amine;hydrochloride
CID 12660350
1-ethyl-2-hept-6-enoxybenzene
CID 107010566
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenoxy)-N-methylpentan-1-amine?
The IUPAC name of 5-(2-ethylphenoxy)-N-methylpentan-1-amine (CID 62486252) is 5-(2-ethylphenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(2-ethylphenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 5-(2-ethylphenoxy)-N-methylpentan-1-amine is CCc1ccccc1OCCCCCNC.
What is the InChIKey of 5-(2-ethylphenoxy)-N-methylpentan-1-amine?
The InChIKey is WVDWYBJGJQXGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-13-9-5-6-10-14(13)16-12-8-4-7-11-15-2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 5-(2-ethylphenoxy)-N-methylpentan-1-amine?
5-(2-ethylphenoxy)-N-methylpentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 62486252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).