1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine

C14H22FN — CID 83988506

IUPAC1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cc(C(C)C)ccc1F
InChIInChI=1S/C14H22FN/c1-9(2)7-14(16)12-8-11(10(3)4)5-6-13(12)15/h5-6,8-10,14H,7,16H2,1-4H3
InChIKeyKZIIUHIYOWSFBZ-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.99
Rot. Bonds4

About 1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine

1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine (PubChem CID 83988506) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine
PubChem CID83988506
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cc(C(C)C)ccc1F
InChIInChI=1S/C14H22FN/c1-9(2)7-14(16)12-8-11(10(3)4)5-6-13(12)15/h5-6,8-10,14H,7,16H2,1-4H3
InChIKeyKZIIUHIYOWSFBZ-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82493939
(1R)-1-(2-fluoro-5-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209640
1-(2,4-difluoro-5-methylphenyl)-3-methylbutan-1-amine
CID 79724390
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine
CID 114201084
(1R)-1-(2-fluoro-5-nitrophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205958
(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine
CID 71074498
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171222157
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171202601
1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718
(2R)-2-amino-2-[5-(difluoromethyl)-2-fluorophenyl]ethanol
CID 66514200
1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine
CID 117285738

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine?
The IUPAC name of 1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine (CID 83988506) is 1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine is CC(C)CC(N)c1cc(C(C)C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine?
The InChIKey is KZIIUHIYOWSFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-9(2)7-14(16)12-8-11(10(3)4)5-6-13(12)15/h5-6,8-10,14H,7,16H2,1-4H3.
What are the key properties of 1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine?
1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 83988506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).