(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride

C12H18ClF2NO — CID 171211366

IUPAC(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1ccccc1OC(F)F.Cl
InChIInChI=1S/C12H17F2NO.ClH/c1-2-3-7-10(15)9-6-4-5-8-11(9)16-12(13)14;/h4-6,8,10,12H,2-3,7,15H2,1H3;1H/t10-;/m1./s1
InChIKeyMOGXTADQLIODCC-HNCPQSOCSA-N
MW265.73 g/mol
LogP3.90
Rot. Bonds6

About (1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride

(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride (PubChem CID 171211366) has the molecular formula C12H18ClF2NO and a molecular weight of 265.73 g/mol. Its IUPAC name is (1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
PubChem CID171211366
Molecular FormulaC12H18ClF2NO
Molecular Weight265.73 g/mol
Exact Mass265.10
IUPAC Name(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1ccccc1OC(F)F.Cl
InChIInChI=1S/C12H17F2NO.ClH/c1-2-3-7-10(15)9-6-4-5-8-11(9)16-12(13)14;/h4-6,8,10,12H,2-3,7,15H2,1H3;1H/t10-;/m1./s1
InChIKeyMOGXTADQLIODCC-HNCPQSOCSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.73
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 171231533
1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
CID 16794692
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
CID 115794253
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
1-[2-(difluoromethoxy)phenyl]hexylhydrazine
CID 105294561
(1R)-1-[2-(difluoromethoxy)phenyl]-3-methylbut-3-en-1-amine;hydrochloride
CID 171211394
4-amino-4-[2-(difluoromethoxy)phenyl]butanoic acid
CID 117364212
1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999216
1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine
CID 61078331
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride (CID 171211366) is (1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1ccccc1OC(F)F.Cl.
What is the InChIKey of (1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride?
The InChIKey is MOGXTADQLIODCC-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H17F2NO.ClH/c1-2-3-7-10(15)9-6-4-5-8-11(9)16-12(13)14;/h4-6,8,10,12H,2-3,7,15H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride?
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride has a molecular weight of 265.73 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride is sourced from PubChem (CID 171211366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).