5-(4-fluoro-2-methylphenyl)pentan-2-amine

C12H18FN — CID 114349377

IUPAC5-(4-fluoro-2-methylphenyl)pentan-2-amine
SMILESCc1cc(F)ccc1CCCC(C)N
InChIInChI=1S/C12H18FN/c1-9-8-12(13)7-6-11(9)5-3-4-10(2)14/h6-8,10H,3-5,14H2,1-2H3
InChIKeyOECWURDBJRJNQT-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.80
Rot. Bonds4

About 5-(4-fluoro-2-methylphenyl)pentan-2-amine

5-(4-fluoro-2-methylphenyl)pentan-2-amine (PubChem CID 114349377) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)pentan-2-amine
PubChem CID114349377
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name5-(4-fluoro-2-methylphenyl)pentan-2-amine
SMILESCc1cc(F)ccc1CCCC(C)N
InChIInChI=1S/C12H18FN/c1-9-8-12(13)7-6-11(9)5-3-4-10(2)14/h6-8,10H,3-5,14H2,1-2H3
InChIKeyOECWURDBJRJNQT-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-methyl-1-pentylbenzene
CID 57094925
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine
CID 83937016
4-(4-fluoro-2-methylphenyl)butan-1-ol
CID 54363918
(2R)-4-(2,4-dimethylphenyl)butan-2-amine
CID 95375920
4-(4-fluoro-2-iodophenyl)butan-2-amine
CID 130054391
(2S)-5-(3-chloro-2,4-difluoro-5-methylphenyl)pentan-2-amine
CID 90212930
1-(4-fluoro-2-methylphenyl)-3-methylhexan-2-amine
CID 105051076
1-(2-bromoethyl)-4-fluoro-2-methylbenzene
CID 62802439
4-(3-aminobutyl)-3-methylaniline
CID 130001530
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
6-(2,4-dimethylphenyl)-2-methylhexan-3-amine
CID 83927989

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)pentan-2-amine?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)pentan-2-amine (CID 114349377) is 5-(4-fluoro-2-methylphenyl)pentan-2-amine.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)pentan-2-amine?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)pentan-2-amine is Cc1cc(F)ccc1CCCC(C)N.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)pentan-2-amine?
The InChIKey is OECWURDBJRJNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9-8-12(13)7-6-11(9)5-3-4-10(2)14/h6-8,10H,3-5,14H2,1-2H3.
What are the key properties of 5-(4-fluoro-2-methylphenyl)pentan-2-amine?
5-(4-fluoro-2-methylphenyl)pentan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenyl)pentan-2-amine is sourced from PubChem (CID 114349377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).