(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride

C12H16ClF2NO — CID 171225709

IUPAC(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(OC(F)F)c1)C1CCC1
InChIInChI=1S/C12H15F2NO.ClH/c13-12(14)16-10-6-2-5-9(7-10)11(15)8-3-1-4-8;/h2,5-8,11-12H,1,3-4,15H2;1H/t11-;/m0./s1
InChIKeyCHLYCYKZWASFAS-MERQFXBCSA-N
MW263.71 g/mol
LogP3.51
Rot. Bonds4

About (S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride

(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride (PubChem CID 171225709) has the molecular formula C12H16ClF2NO and a molecular weight of 263.71 g/mol. Its IUPAC name is (S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
PubChem CID171225709
Molecular FormulaC12H16ClF2NO
Molecular Weight263.71 g/mol
Exact Mass263.09
IUPAC Name(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(OC(F)F)c1)C1CCC1
InChIInChI=1S/C12H15F2NO.ClH/c13-12(14)16-10-6-2-5-9(7-10)11(15)8-3-1-4-8;/h2,5-8,11-12H,1,3-4,15H2;1H/t11-;/m0./s1
InChIKeyCHLYCYKZWASFAS-MERQFXBCSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
CID 171206139
(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171206136
(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride
CID 171314391
(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171262769
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
[cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine
CID 105330629
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
[[3-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]hydrazine
CID 105313509

Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of (S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride (CID 171225709) is (S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for (S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride is Cl.N[C@H](c1cccc(OC(F)F)c1)C1CCC1.
What is the InChIKey of (S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is CHLYCYKZWASFAS-MERQFXBCSA-N. The full InChI is InChI=1S/C12H15F2NO.ClH/c13-12(14)16-10-6-2-5-9(7-10)11(15)8-3-1-4-8;/h2,5-8,11-12H,1,3-4,15H2;1H/t11-;/m0./s1.
What are the key properties of (S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride?
(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 263.71 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171225709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).