1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine

C13H20FNO — CID 103031125

IUPAC1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-13(2,16-3)8-7-12(15)10-5-4-6-11(14)9-10/h4-6,9,12H,7-8,15H2,1-3H3
InChIKeyLGUBMZSPBOCSRJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.03
Rot. Bonds5

About 1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine

1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031125) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103031125
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-13(2,16-3)8-7-12(15)10-5-4-6-11(14)9-10/h4-6,9,12H,7-8,15H2,1-3H3
InChIKeyLGUBMZSPBOCSRJ-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-fluorophenyl)-4-methoxypentan-1-amine
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1-(3-fluorophenyl)butan-1-amine;hydrochloride
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CID 45283501
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3-fluorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
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(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
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1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
CID 106695946
4-methoxy-4-methyl-1-naphthalen-1-ylpentan-1-amine
CID 103031528

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine (CID 103031125) is 1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CCC(N)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is LGUBMZSPBOCSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-13(2,16-3)8-7-12(15)10-5-4-6-11(14)9-10/h4-6,9,12H,7-8,15H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine?
1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).