4-(4-fluorophenyl)-3-methylbutan-1-amine

C11H16FN — CID 79003663

IUPAC4-(4-fluorophenyl)-3-methylbutan-1-amine
SMILESCC(CCN)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-9(6-7-13)8-10-2-4-11(12)5-3-10/h2-5,9H,6-8,13H2,1H3
InChIKeyNGKUOXURDOTMAH-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.35
Rot. Bonds4

About 4-(4-fluorophenyl)-3-methylbutan-1-amine

4-(4-fluorophenyl)-3-methylbutan-1-amine (PubChem CID 79003663) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-methylbutan-1-amine
PubChem CID79003663
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name4-(4-fluorophenyl)-3-methylbutan-1-amine
SMILESCC(CCN)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-9(6-7-13)8-10-2-4-11(12)5-3-10/h2-5,9H,6-8,13H2,1H3
InChIKeyNGKUOXURDOTMAH-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82542782
4-(4-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 83931066
1-(2,8-dimethylnonyl)-4-fluorobenzene
CID 162726877
1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane
CID 162726876
3-(4-fluorophenyl)-2-methylpropane-1-thiol
CID 83930913
1-(3-chloro-2-methylpropyl)-4-fluorobenzene
CID 64666750
N-[2-(4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202719
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine
CID 82542750
4-(4-ethoxy-3-fluorophenyl)-3-methylbutan-1-amine
CID 116924857
1-fluoro-4-methylbenzene;3-methylbutan-1-amine
CID 178163375
3-[3-(4-fluorophenyl)-2-methylpropyl]aniline
CID 19834544

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-methylbutan-1-amine?
The IUPAC name of 4-(4-fluorophenyl)-3-methylbutan-1-amine (CID 79003663) is 4-(4-fluorophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(4-fluorophenyl)-3-methylbutan-1-amine is CC(CCN)Cc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-methylbutan-1-amine?
The InChIKey is NGKUOXURDOTMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-9(6-7-13)8-10-2-4-11(12)5-3-10/h2-5,9H,6-8,13H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-3-methylbutan-1-amine?
4-(4-fluorophenyl)-3-methylbutan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 79003663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).