3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine

C14H20FN — CID 105377154

IUPAC3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
SMILESCc1ccc(F)cc1CC(N)C(C)C1CC1
InChIInChI=1S/C14H20FN/c1-9-3-6-13(15)7-12(9)8-14(16)10(2)11-4-5-11/h3,6-7,10-11,14H,4-5,8,16H2,1-2H3
InChIKeyMPZKKLAWGICBKE-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.05
Rot. Bonds4

About 3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine

3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine (PubChem CID 105377154) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
PubChem CID105377154
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
SMILESCc1ccc(F)cc1CC(N)C(C)C1CC1
InChIInChI=1S/C14H20FN/c1-9-3-6-13(15)7-12(9)8-14(16)10(2)11-4-5-11/h3,6-7,10-11,14H,4-5,8,16H2,1-2H3
InChIKeyMPZKKLAWGICBKE-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine
CID 83154335
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377444
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105377006
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
1-(5-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105377602
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115967889
2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine
CID 105377396
1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine
CID 105374351

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine?
The IUPAC name of 3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine (CID 105377154) is 3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine.
What is the SMILES notation for 3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine?
The canonical SMILES for 3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine is Cc1ccc(F)cc1CC(N)C(C)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine?
The InChIKey is MPZKKLAWGICBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-9-3-6-13(15)7-12(9)8-14(16)10(2)11-4-5-11/h3,6-7,10-11,14H,4-5,8,16H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine?
3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine has a molecular weight of 221.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine is sourced from PubChem (CID 105377154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).