1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine

C13H20FNO — CID 115854343

IUPAC1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1ccc(F)c(OC)c1)C(C)(C)C
InChIInChI=1S/C13H20FNO/c1-13(2,3)12(15-4)9-6-7-10(14)11(8-9)16-5/h6-8,12,15H,1-5H3
InChIKeyWDXYVMMVBXPIGX-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.14
Rot. Bonds3

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

1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 115854343) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID115854343
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1ccc(F)c(OC)c1)C(C)(C)C
InChIInChI=1S/C13H20FNO/c1-13(2,3)12(15-4)9-6-7-10(14)11(8-9)16-5/h6-8,12,15H,1-5H3
InChIKeyWDXYVMMVBXPIGX-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 62394130
N-tert-butylsulfanyl-2,2,2-trifluoro-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 168898397
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 81282943
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62867797
1-(3,4-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81283805
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-phenylmethanamine
CID 81283092
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81283311
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 81283237
1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954007
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 43487653

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine (CID 115854343) is 1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine is CNC(c1ccc(F)c(OC)c1)C(C)(C)C.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is WDXYVMMVBXPIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-13(2,3)12(15-4)9-6-7-10(14)11(8-9)16-5/h6-8,12,15H,1-5H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine?
1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 115854343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).