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

C18H22FNO — CID 43487653

IUPAC1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
SMILESCNC(c1ccc(OC)c(F)c1)C(C)(C)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-18(2,14-8-6-5-7-9-14)17(20-3)13-10-11-16(21-4)15(19)12-13/h5-12,17,20H,1-4H3
InChIKeyFTUZBVGRWPELJC-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.07
Rot. Bonds5

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

1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine (PubChem CID 43487653) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
PubChem CID43487653
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
SMILESCNC(c1ccc(OC)c(F)c1)C(C)(C)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-18(2,14-8-6-5-7-9-14)17(20-3)13-10-11-16(21-4)15(19)12-13/h5-12,17,20H,1-4H3
InChIKeyFTUZBVGRWPELJC-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine 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-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 107128707
1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine
CID 43474238
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 66436991
1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 115854343
1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909206
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
[1-(3-fluoro-4-methylphenyl)-2-methyl-2-phenylpropyl]hydrazine
CID 107130751
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine (CID 43487653) is 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine is CNC(c1ccc(OC)c(F)c1)C(C)(C)c1ccccc1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine?
The InChIKey is FTUZBVGRWPELJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-18(2,14-8-6-5-7-9-14)17(20-3)13-10-11-16(21-4)15(19)12-13/h5-12,17,20H,1-4H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.07, 5 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)-N,2-dimethyl-2-phenylpropan-1-amine is sourced from PubChem (CID 43487653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).