6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine

C15H24ClNO — CID 55104805

IUPAC6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine
SMILESCCNC(C)CCCCOc1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-17-13(3)7-5-6-10-18-15-9-8-12(2)11-14(15)16/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyVFOPFHRKLHRIOJ-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.20
Rot. Bonds8

About 6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine

6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine (PubChem CID 55104805) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine.

Molecular Properties

Compound Name6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine
PubChem CID55104805
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine
SMILESCCNC(C)CCCCOc1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-17-13(3)7-5-6-10-18-15-9-8-12(2)11-14(15)16/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyVFOPFHRKLHRIOJ-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.20
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-6-(2-fluoro-5-methylphenoxy)hexan-2-amine
CID 64854812
(2R)-N-[2-(2-chloro-4-methylphenoxy)ethyl]butan-2-amine
CID 2183230
(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2184444
N-[2-(2-chloro-4-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62672412
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941
1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62671081
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
4-(2-chloro-4-methylphenoxy)butanenitrile
CID 62669172
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
4-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-1-ol
CID 113389746
5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
CID 64854811
1-[2-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine?
The IUPAC name of 6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine (CID 55104805) is 6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine.
What is the SMILES notation for 6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine?
The canonical SMILES for 6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine is CCNC(C)CCCCOc1ccc(C)cc1Cl.
What is the InChIKey of 6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine?
The InChIKey is VFOPFHRKLHRIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-17-13(3)7-5-6-10-18-15-9-8-12(2)11-14(15)16/h8-9,11,13,17H,4-7,10H2,1-3H3.
What are the key properties of 6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine?
6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine is sourced from PubChem (CID 55104805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).