6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine

C22H30ClNO — CID 3055339

IUPAC6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine
SMILESCN(C)CCCCCCOc1ccccc1CCc1ccccc1Cl
InChIInChI=1S/C22H30ClNO/c1-24(2)17-9-3-4-10-18-25-22-14-8-6-12-20(22)16-15-19-11-5-7-13-21(19)23/h5-8,11-14H,3-4,9-10,15-18H2,1-2H3
InChIKeyMFUIRLXWMLZCON-UHFFFAOYSA-N
MW359.94 g/mol
LogP5.63
Rot. Bonds11

About 6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine

6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine (PubChem CID 3055339) has the molecular formula C22H30ClNO and a molecular weight of 359.94 g/mol. Its IUPAC name is 6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine
PubChem CID3055339
Molecular FormulaC22H30ClNO
Molecular Weight359.94 g/mol
Exact Mass359.20
IUPAC Name6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine
SMILESCN(C)CCCCCCOc1ccccc1CCc1ccccc1Cl
InChIInChI=1S/C22H30ClNO/c1-24(2)17-9-3-4-10-18-25-22-14-8-6-12-20(22)16-15-19-11-5-7-13-21(19)23/h5-8,11-14H,3-4,9-10,15-18H2,1-2H3
InChIKeyMFUIRLXWMLZCON-UHFFFAOYSA-N
XLogP5.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.94
LogP ≤ 55.63
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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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine?
The IUPAC name of 6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine (CID 3055339) is 6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine.
What is the SMILES notation for 6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine?
The canonical SMILES for 6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine is CN(C)CCCCCCOc1ccccc1CCc1ccccc1Cl.
What is the InChIKey of 6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine?
The InChIKey is MFUIRLXWMLZCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClNO/c1-24(2)17-9-3-4-10-18-25-22-14-8-6-12-20(22)16-15-19-11-5-7-13-21(19)23/h5-8,11-14H,3-4,9-10,15-18H2,1-2H3.
What are the key properties of 6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine?
6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine has a molecular weight of 359.94 g/mol, XLogP of 5.63, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(2-chlorophenyl)ethyl]phenoxy]-N,N-dimethylhexan-1-amine is sourced from PubChem (CID 3055339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).