(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride

C12H18ClF2NO — CID 171241676

IUPAC(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@H](N)c1cccc(OC(F)F)c1.Cl
InChIInChI=1S/C12H17F2NO.ClH/c1-12(2,3)10(15)8-5-4-6-9(7-8)16-11(13)14;/h4-7,10-11H,15H2,1-3H3;1H/t10-;/m1./s1
InChIKeyOPNROFGZJJPJPA-HNCPQSOCSA-N
MW265.73 g/mol
LogP3.76
Rot. Bonds3

About (1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride

(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 171241676) has the molecular formula C12H18ClF2NO and a molecular weight of 265.73 g/mol. Its IUPAC name is (1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID171241676
Molecular FormulaC12H18ClF2NO
Molecular Weight265.73 g/mol
Exact Mass265.10
IUPAC Name(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@H](N)c1cccc(OC(F)F)c1.Cl
InChIInChI=1S/C12H17F2NO.ClH/c1-12(2,3)10(15)8-5-4-6-9(7-8)16-11(13)14;/h4-7,10-11H,15H2,1-3H3;1H/t10-;/m1./s1
InChIKeyOPNROFGZJJPJPA-HNCPQSOCSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.73
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171248398
(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171246480
(1R)-1-[3-(difluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171206124
(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171262763
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171206136
(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 66512368
(1R)-1-[3-(difluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171206110
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414582
(R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414588
(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171225709

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride (CID 171241676) is (1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride is CC(C)(C)[C@H](N)c1cccc(OC(F)F)c1.Cl.
What is the InChIKey of (1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is OPNROFGZJJPJPA-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H17F2NO.ClH/c1-12(2,3)10(15)8-5-4-6-9(7-8)16-11(13)14;/h4-7,10-11H,15H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride?
(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 265.73 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171241676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).