6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine

C16H26ClNO — CID 2232650

IUPAC6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine
SMILESCCN(CC)CCCCCCOc1ccccc1Cl
InChIInChI=1S/C16H26ClNO/c1-3-18(4-2)13-9-5-6-10-14-19-16-12-8-7-11-15(16)17/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
InChIKeyCUUBGJUJIAPIAI-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.62
Rot. Bonds10

About 6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine

6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine (PubChem CID 2232650) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine.

Molecular Properties

Compound Name6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine
PubChem CID2232650
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine
SMILESCCN(CC)CCCCCCOc1ccccc1Cl
InChIInChI=1S/C16H26ClNO/c1-3-18(4-2)13-9-5-6-10-14-19-16-12-8-7-11-15(16)17/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
InChIKeyCUUBGJUJIAPIAI-UHFFFAOYSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.62
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-5-(2-methylphenoxy)pentan-1-amine
CID 2058755
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544
N,N-diethyl-8-[2-(2-phenylethyl)phenoxy]octan-1-amine
CID 20544982
5-(2-chlorophenoxy)pentyl-diethylazanium
CID 2232789
4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
CID 2298137
3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide
CID 108789454
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline
CID 54482087
N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
CID 2263014
2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine
CID 62501610
1-chloro-2-(6-propan-2-ylsulfanylhexoxy)benzene
CID 2232763
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine?
The IUPAC name of 6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine (CID 2232650) is 6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine.
What is the SMILES notation for 6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine?
The canonical SMILES for 6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine is CCN(CC)CCCCCCOc1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine?
The InChIKey is CUUBGJUJIAPIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-3-18(4-2)13-9-5-6-10-14-19-16-12-8-7-11-15(16)17/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of 6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine?
6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine is sourced from PubChem (CID 2232650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).