(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride

C11H14ClF2NO — CID 171206136

IUPAC(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(OC(F)F)c1)C1CC1
InChIInChI=1S/C11H13F2NO.ClH/c12-11(13)15-9-3-1-2-8(6-9)10(14)7-4-5-7;/h1-3,6-7,10-11H,4-5,14H2;1H/t10-;/m1./s1
InChIKeyPSMCCPIZBYOABS-HNCPQSOCSA-N
MW249.69 g/mol
LogP3.12
Rot. Bonds4

About (R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride

(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride (PubChem CID 171206136) has the molecular formula C11H14ClF2NO and a molecular weight of 249.69 g/mol. Its IUPAC name is (R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
PubChem CID171206136
Molecular FormulaC11H14ClF2NO
Molecular Weight249.69 g/mol
Exact Mass249.07
IUPAC Name(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(OC(F)F)c1)C1CC1
InChIInChI=1S/C11H13F2NO.ClH/c12-11(13)15-9-3-1-2-8(6-9)10(14)7-4-5-7;/h1-3,6-7,10-11H,4-5,14H2;1H/t10-;/m1./s1
InChIKeyPSMCCPIZBYOABS-HNCPQSOCSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.69
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171225709
(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
CID 171206139
(R)-[3-(difluoromethoxy)phenyl]-piperidin-4-ylmethanamine;hydrochloride
CID 171314391
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171262769
(1R)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171248398
(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241676
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083
1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171278221
[cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine
CID 105330629
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of (R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride (CID 171206136) is (R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for (R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride is Cl.N[C@@H](c1cccc(OC(F)F)c1)C1CC1.
What is the InChIKey of (R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is PSMCCPIZBYOABS-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H13F2NO.ClH/c12-11(13)15-9-3-1-2-8(6-9)10(14)7-4-5-7;/h1-3,6-7,10-11H,4-5,14H2;1H/t10-;/m1./s1.
What are the key properties of (R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride?
(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 249.69 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171206136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).