(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine

C11H16FN — CID 131025596

IUPAC(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h4-8,11H,3,13H2,1-2H3/t8?,11-/m1/s1
InChIKeyITGRVINROCAJCO-QHDYGNBISA-N
MW181.25 g/mol
LogP2.87
Rot. Bonds3

About (1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine

(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine (PubChem CID 131025596) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
PubChem CID131025596
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h4-8,11H,3,13H2,1-2H3/t8?,11-/m1/s1
InChIKeyITGRVINROCAJCO-QHDYGNBISA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
(1R)-2-methyl-1-(4-methylsulfanylphenyl)butan-1-amine;hydrochloride
CID 171212740
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine
CID 63716843
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
3-(4-fluorophenyl)pentan-2-amine
CID 66437850
(1S)-2-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 171231162
1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 53420253
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine (CID 131025596) is (1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine is CCC(C)[C@@H](N)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine?
The InChIKey is ITGRVINROCAJCO-QHDYGNBISA-N. The full InChI is InChI=1S/C11H16FN/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h4-8,11H,3,13H2,1-2H3/t8?,11-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine?
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 131025596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).