5-(2-fluoro-5-methylphenoxy)pentan-2-amine

C12H18FNO — CID 64853835

IUPAC5-(2-fluoro-5-methylphenoxy)pentan-2-amine
SMILESCc1ccc(F)c(OCCCC(C)N)c1
InChIInChI=1S/C12H18FNO/c1-9-5-6-11(13)12(8-9)15-7-3-4-10(2)14/h5-6,8,10H,3-4,7,14H2,1-2H3
InChIKeyQUUGOYGCXMVQJQ-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.64
Rot. Bonds5

About 5-(2-fluoro-5-methylphenoxy)pentan-2-amine

5-(2-fluoro-5-methylphenoxy)pentan-2-amine (PubChem CID 64853835) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 5-(2-fluoro-5-methylphenoxy)pentan-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-5-methylphenoxy)pentan-2-amine
PubChem CID64853835
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name5-(2-fluoro-5-methylphenoxy)pentan-2-amine
SMILESCc1ccc(F)c(OCCCC(C)N)c1
InChIInChI=1S/C12H18FNO/c1-9-5-6-11(13)12(8-9)15-7-3-4-10(2)14/h5-6,8,10H,3-4,7,14H2,1-2H3
InChIKeyQUUGOYGCXMVQJQ-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.64
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

1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254
6-(2-fluoro-5-methylphenoxy)hexan-3-amine
CID 106801003
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
CID 64854811
N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine
CID 64854812
2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine
CID 64854417
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
1-fluoro-4-methyl-2-(4,4,4-trifluorobutoxy)benzene
CID 115518687
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
N-[2-(2-fluoro-5-methylphenoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 64855858
ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate
CID 64855551

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methylphenoxy)pentan-2-amine?
The IUPAC name of 5-(2-fluoro-5-methylphenoxy)pentan-2-amine (CID 64853835) is 5-(2-fluoro-5-methylphenoxy)pentan-2-amine.
What is the SMILES notation for 5-(2-fluoro-5-methylphenoxy)pentan-2-amine?
The canonical SMILES for 5-(2-fluoro-5-methylphenoxy)pentan-2-amine is Cc1ccc(F)c(OCCCC(C)N)c1.
What is the InChIKey of 5-(2-fluoro-5-methylphenoxy)pentan-2-amine?
The InChIKey is QUUGOYGCXMVQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-5-6-11(13)12(8-9)15-7-3-4-10(2)14/h5-6,8,10H,3-4,7,14H2,1-2H3.
What are the key properties of 5-(2-fluoro-5-methylphenoxy)pentan-2-amine?
5-(2-fluoro-5-methylphenoxy)pentan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.64, 5 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)pentan-2-amine is sourced from PubChem (CID 64853835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).