N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine

C15H24FNO — CID 64854812

IUPACN-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine
SMILESCCNC(C)CCCCOc1cc(C)ccc1F
InChIInChI=1S/C15H24FNO/c1-4-17-13(3)7-5-6-10-18-15-11-12(2)8-9-14(15)16/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyQWUYGPNWXSFRRY-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.68
Rot. Bonds8

About N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine

N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine (PubChem CID 64854812) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine
PubChem CID64854812
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine
SMILESCCNC(C)CCCCOc1cc(C)ccc1F
InChIInChI=1S/C15H24FNO/c1-4-17-13(3)7-5-6-10-18-15-11-12(2)8-9-14(15)16/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyQWUYGPNWXSFRRY-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.68
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

5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
CID 64854811
6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine
CID 55104805
5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine
CID 55169271
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
5-(2-fluoro-5-methylphenoxy)pentan-2-amine
CID 64853835
N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008
6-(2-fluoro-5-methylphenoxy)hexan-3-amine
CID 106801003
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
1-fluoro-4-methyl-2-(4,4,4-trifluorobutoxy)benzene
CID 115518687
3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
CID 64854707
N-ethyl-1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115513259

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine?
The IUPAC name of N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine (CID 64854812) is N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine.
What is the SMILES notation for N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine?
The canonical SMILES for N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine is CCNC(C)CCCCOc1cc(C)ccc1F.
What is the InChIKey of N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine?
The InChIKey is QWUYGPNWXSFRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-17-13(3)7-5-6-10-18-15-11-12(2)8-9-14(15)16/h8-9,11,13,17H,4-7,10H2,1-3H3.
What are the key properties of N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine?
N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine is sourced from PubChem (CID 64854812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).