1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine

C14H22FN — CID 65299571

IUPAC1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine
SMILESCc1cc(C(N)C(C)C(C)C)cc(C)c1F
InChIInChI=1S/C14H22FN/c1-8(2)11(5)14(16)12-6-9(3)13(15)10(4)7-12/h6-8,11,14H,16H2,1-5H3
InChIKeyYUAWPRIOEYZGDO-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.73
Rot. Bonds3

About 1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine

1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine (PubChem CID 65299571) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine
PubChem CID65299571
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine
SMILESCc1cc(C(N)C(C)C(C)C)cc(C)c1F
InChIInChI=1S/C14H22FN/c1-8(2)11(5)14(16)12-6-9(3)13(15)10(4)7-12/h6-8,11,14H,16H2,1-5H3
InChIKeyYUAWPRIOEYZGDO-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine
CID 55278415
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990669
2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 105023232
(3-chloro-5-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81323717
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 107001276
(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2,6-dimethylphenol
CID 131404150
(4-fluoro-3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methanol
CID 65297282
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dimethylphenol
CID 130606712
1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65298904
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine (CID 65299571) is 1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine is Cc1cc(C(N)C(C)C(C)C)cc(C)c1F.
What is the InChIKey of 1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine?
The InChIKey is YUAWPRIOEYZGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-8(2)11(5)14(16)12-6-9(3)13(15)10(4)7-12/h6-8,11,14H,16H2,1-5H3.
What are the key properties of 1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine?
1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3,5-dimethylphenyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 65299571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).