5-(2-fluorophenoxy)-N-methylpentan-1-amine

C12H18FNO — CID 62453005

IUPAC5-(2-fluorophenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-14-9-5-2-6-10-15-12-8-4-3-7-11(12)13/h3-4,7-8,14H,2,5-6,9-10H2,1H3
InChIKeyJLUBPSKSKMSBKA-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.59
Rot. Bonds7

About 5-(2-fluorophenoxy)-N-methylpentan-1-amine

5-(2-fluorophenoxy)-N-methylpentan-1-amine (PubChem CID 62453005) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-N-methylpentan-1-amine
PubChem CID62453005
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name5-(2-fluorophenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-14-9-5-2-6-10-15-12-8-4-3-7-11(12)13/h3-4,7-8,14H,2,5-6,9-10H2,1H3
InChIKeyJLUBPSKSKMSBKA-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.59
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-(2,5-difluorophenoxy)-N-methylpentan-1-amine
CID 63273148
4-(2-fluorophenoxy)-N-propylbutan-1-amine
CID 62452469
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
CID 116690269
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
5-(2-benzylphenoxy)-N-methylpentan-1-amine
CID 12660345
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenoxy)-N-methylpentan-1-amine?
The IUPAC name of 5-(2-fluorophenoxy)-N-methylpentan-1-amine (CID 62453005) is 5-(2-fluorophenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(2-fluorophenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 5-(2-fluorophenoxy)-N-methylpentan-1-amine is CNCCCCCOc1ccccc1F.
What is the InChIKey of 5-(2-fluorophenoxy)-N-methylpentan-1-amine?
The InChIKey is JLUBPSKSKMSBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-14-9-5-2-6-10-15-12-8-4-3-7-11(12)13/h3-4,7-8,14H,2,5-6,9-10H2,1H3.
What are the key properties of 5-(2-fluorophenoxy)-N-methylpentan-1-amine?
5-(2-fluorophenoxy)-N-methylpentan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 62453005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).