(4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride

C12H17ClFN — CID 170913584

IUPAC(4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride
SMILESCC1(C(N)c2ccc(F)cc2)CCC1.Cl
InChIInChI=1S/C12H16FN.ClH/c1-12(7-2-8-12)11(14)9-3-5-10(13)6-4-9;/h3-6,11H,2,7-8,14H2,1H3;1H
InChIKeyDBMHSGXKBJLRGI-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.44
Rot. Bonds2

About (4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride

(4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride (PubChem CID 170913584) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is (4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride
PubChem CID170913584
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name(4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride
SMILESCC1(C(N)c2ccc(F)cc2)CCC1.Cl
InChIInChI=1S/C12H16FN.ClH/c1-12(7-2-8-12)11(14)9-3-5-10(13)6-4-9;/h3-6,11H,2,7-8,14H2,1H3;1H
InChIKeyDBMHSGXKBJLRGI-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride?
The IUPAC name of (4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride (CID 170913584) is (4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride.
What is the SMILES notation for (4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride?
The canonical SMILES for (4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride is CC1(C(N)c2ccc(F)cc2)CCC1.Cl.
What is the InChIKey of (4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride?
The InChIKey is DBMHSGXKBJLRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN.ClH/c1-12(7-2-8-12)11(14)9-3-5-10(13)6-4-9;/h3-6,11H,2,7-8,14H2,1H3;1H.
What are the key properties of (4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride?
(4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1-methylcyclobutyl)methanamine;hydrochloride is sourced from PubChem (CID 170913584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).