5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine

C15H24FNO — CID 64854811

IUPAC5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
SMILESCCCNC(C)CCCOc1cc(C)ccc1F
InChIInChI=1S/C15H24FNO/c1-4-9-17-13(3)6-5-10-18-15-11-12(2)7-8-14(15)16/h7-8,11,13,17H,4-6,9-10H2,1-3H3
InChIKeyFYHFHKAAAYEKBE-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.68
Rot. Bonds8

About 5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine

5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine (PubChem CID 64854811) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
PubChem CID64854811
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
SMILESCCCNC(C)CCCOc1cc(C)ccc1F
InChIInChI=1S/C15H24FNO/c1-4-9-17-13(3)6-5-10-18-15-11-12(2)7-8-14(15)16/h7-8,11,13,17H,4-6,9-10H2,1-3H3
InChIKeyFYHFHKAAAYEKBE-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

N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine
CID 64854812
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254
5-(2-fluoro-5-methylphenoxy)pentan-2-amine
CID 64853835
5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine
CID 55169271
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
6-(2-fluoro-5-methylphenoxy)hexan-3-amine
CID 106801003
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
CID 64898881
N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008
1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
CID 63269982
N-[2-(2-fluoro-5-methylphenoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 64855858
3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
CID 64854707

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine?
The IUPAC name of 5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine (CID 64854811) is 5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine.
What is the SMILES notation for 5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine?
The canonical SMILES for 5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine is CCCNC(C)CCCOc1cc(C)ccc1F.
What is the InChIKey of 5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine?
The InChIKey is FYHFHKAAAYEKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-9-17-13(3)6-5-10-18-15-11-12(2)7-8-14(15)16/h7-8,11,13,17H,4-6,9-10H2,1-3H3.
What are the key properties of 5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine?
5-(2-fluoro-5-methylphenoxy)-N-propylpentan-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 5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine is sourced from PubChem (CID 64854811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).