N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine

C16H27NO — CID 2058755

IUPACN,N-diethyl-5-(2-methylphenoxy)pentan-1-amine
SMILESCCN(CC)CCCCCOc1ccccc1C
InChIInChI=1S/C16H27NO/c1-4-17(5-2)13-9-6-10-14-18-16-12-8-7-11-15(16)3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3
InChIKeyIPTVSYDKZYAXAR-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.89
Rot. Bonds9

About N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine

N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine (PubChem CID 2058755) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-5-(2-methylphenoxy)pentan-1-amine
PubChem CID2058755
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN,N-diethyl-5-(2-methylphenoxy)pentan-1-amine
SMILESCCN(CC)CCCCCOc1ccccc1C
InChIInChI=1S/C16H27NO/c1-4-17(5-2)13-9-6-10-14-18-16-12-8-7-11-15(16)3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3
InChIKeyIPTVSYDKZYAXAR-UHFFFAOYSA-N
XLogP3.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.89
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

N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine
CID 31196232
6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine
CID 2232650
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine
CID 2057942
N,N-diethyl-8-[2-(2-phenylethyl)phenoxy]octan-1-amine
CID 20544982
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
CID 2298137
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397
2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate
CID 2176414
4-(2-methylphenoxy)butane-1-thiol
CID 2063623
1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene
CID 2283423

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine?
The IUPAC name of N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine (CID 2058755) is N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine.
What is the SMILES notation for N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine?
The canonical SMILES for N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine is CCN(CC)CCCCCOc1ccccc1C.
What is the InChIKey of N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine?
The InChIKey is IPTVSYDKZYAXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-17(5-2)13-9-6-10-14-18-16-12-8-7-11-15(16)3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine?
N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine is sourced from PubChem (CID 2058755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).