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

C12H18FNO — CID 43474173

IUPAC1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)(C)C)cc1F
InChIInChI=1S/C12H18FNO/c1-12(2,3)11(14)8-5-6-10(15-4)9(13)7-8/h5-7,11H,14H2,1-4H3
InChIKeyUSXIQPKWOWTLFF-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.88
Rot. Bonds2

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

1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 43474173) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
PubChem CID43474173
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)(C)C)cc1F
InChIInChI=1S/C12H18FNO/c1-12(2,3)11(14)8-5-6-10(15-4)9(13)7-8/h5-7,11H,14H2,1-4H3
InChIKeyUSXIQPKWOWTLFF-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
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)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine (CID 43474173) is 1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine is COc1ccc(C(N)C(C)(C)C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is USXIQPKWOWTLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,3)11(14)8-5-6-10(15-4)9(13)7-8/h5-7,11H,14H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 43474173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).