1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine

C15H22FN — CID 118196132

IUPAC1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine
SMILESCC1(c2ccc(C(N)C(C)(C)C)cc2F)CC1
InChIInChI=1S/C15H22FN/c1-14(2,3)13(17)10-5-6-11(12(16)9-10)15(4)7-8-15/h5-6,9,13H,7-8,17H2,1-4H3
InChIKeyMDNKPOUYZKXWAY-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.92
Rot. Bonds2

About 1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine

1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine (PubChem CID 118196132) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine
PubChem CID118196132
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine
SMILESCC1(c2ccc(C(N)C(C)(C)C)cc2F)CC1
InChIInChI=1S/C15H22FN/c1-14(2,3)13(17)10-5-6-11(12(16)9-10)15(4)7-8-15/h5-6,9,13H,7-8,17H2,1-4H3
InChIKeyMDNKPOUYZKXWAY-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine (CID 118196132) is 1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine is CC1(c2ccc(C(N)C(C)(C)C)cc2F)CC1.
What is the InChIKey of 1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine?
The InChIKey is MDNKPOUYZKXWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-14(2,3)13(17)10-5-6-11(12(16)9-10)15(4)7-8-15/h5-6,9,13H,7-8,17H2,1-4H3.
What are the key properties of 1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine?
1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 118196132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).