1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine

C13H20FN — CID 112631075

IUPAC1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
SMILESCc1ccc(C(N)CCC(C)C)c(F)c1
InChIInChI=1S/C13H20FN/c1-9(2)4-7-13(15)11-6-5-10(3)8-12(11)14/h5-6,8-9,13H,4,7,15H2,1-3H3
InChIKeyQNSMGWXYJWWHBX-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.57
Rot. Bonds4

About 1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine

1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine (PubChem CID 112631075) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
PubChem CID112631075
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
SMILESCc1ccc(C(N)CCC(C)C)c(F)c1
InChIInChI=1S/C13H20FN/c1-9(2)4-7-13(15)11-6-5-10(3)8-12(11)14/h5-6,8-9,13H,4,7,15H2,1-3H3
InChIKeyQNSMGWXYJWWHBX-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171221516
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
(1S)-3-fluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171221503
(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
CID 131226334
(1S,2R)-1-amino-1-(2-fluoro-4-methylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171267294
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
1-(2-fluoro-4-methylphenyl)hex-4-yn-1-amine
CID 105037331
(1S)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219626

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine (CID 112631075) is 1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine is Cc1ccc(C(N)CCC(C)C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine?
The InChIKey is QNSMGWXYJWWHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-9(2)4-7-13(15)11-6-5-10(3)8-12(11)14/h5-6,8-9,13H,4,7,15H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine?
1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 112631075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).