1-(4-fluorophenyl)-N-methoxypentan-1-amine

C12H18FNO — CID 82706495

IUPAC1-(4-fluorophenyl)-N-methoxypentan-1-amine
SMILESCCCCC(NOC)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-3-4-5-12(14-15-2)10-6-8-11(13)9-7-10/h6-9,12,14H,3-5H2,1-2H3
InChIKeyBXFKTTANZYFEDD-UHFFFAOYSA-N
MW211.28 g/mol
LogP3.21
Rot. Bonds6

About 1-(4-fluorophenyl)-N-methoxypentan-1-amine

1-(4-fluorophenyl)-N-methoxypentan-1-amine (PubChem CID 82706495) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methoxypentan-1-amine
PubChem CID82706495
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(4-fluorophenyl)-N-methoxypentan-1-amine
SMILESCCCCC(NOC)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-3-4-5-12(14-15-2)10-6-8-11(13)9-7-10/h6-9,12,14H,3-5H2,1-2H3
InChIKeyBXFKTTANZYFEDD-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)pentylhydrazine
CID 53402329
N-methoxy-1-phenylhexan-1-amine
CID 82707077
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
1-(4-fluorophenyl)undecylhydrazine
CID 105192861
1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43111700
N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine
CID 43100534
4-ethyl-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43097077
2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945108
N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine
CID 106226041

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methoxypentan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methoxypentan-1-amine (CID 82706495) is 1-(4-fluorophenyl)-N-methoxypentan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methoxypentan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methoxypentan-1-amine is CCCCC(NOC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methoxypentan-1-amine?
The InChIKey is BXFKTTANZYFEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-4-5-12(14-15-2)10-6-8-11(13)9-7-10/h6-9,12,14H,3-5H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methoxypentan-1-amine?
1-(4-fluorophenyl)-N-methoxypentan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methoxypentan-1-amine is sourced from PubChem (CID 82706495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).