(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride

C12H19ClFNO — CID 171246839

IUPAC(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCOc1ccc([C@H](N)C(C)(C)C)cc1F.Cl
InChIInChI=1S/C12H18FNO.ClH/c1-12(2,3)11(14)8-5-6-10(15-4)9(13)7-8;/h5-7,11H,14H2,1-4H3;1H/t11-;/m0./s1
InChIKeyIPQKHNPQMIIZFP-MERQFXBCSA-N
MW247.74 g/mol
LogP3.30
Rot. Bonds2

About (1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride

(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 171246839) has the molecular formula C12H19ClFNO and a molecular weight of 247.74 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID171246839
Molecular FormulaC12H19ClFNO
Molecular Weight247.74 g/mol
Exact Mass247.11
IUPAC Name(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCOc1ccc([C@H](N)C(C)(C)C)cc1F.Cl
InChIInChI=1S/C12H18FNO.ClH/c1-12(2,3)11(14)8-5-6-10(15-4)9(13)7-8;/h5-7,11H,14H2,1-4H3;1H/t11-;/m0./s1
InChIKeyIPQKHNPQMIIZFP-MERQFXBCSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053803
1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine
CID 43474238
2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 79052974
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride (CID 171246839) is (1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride is COc1ccc([C@H](N)C(C)(C)C)cc1F.Cl.
What is the InChIKey of (1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is IPQKHNPQMIIZFP-MERQFXBCSA-N. The full InChI is InChI=1S/C12H18FNO.ClH/c1-12(2,3)11(14)8-5-6-10(15-4)9(13)7-8;/h5-7,11H,14H2,1-4H3;1H/t11-;/m0./s1.
What are the key properties of (1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 247.74 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171246839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).