1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine

C17H20FNO — CID 43474238

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)(C)c2ccccc2)cc1F
InChIInChI=1S/C17H20FNO/c1-17(2,13-7-5-4-6-8-13)16(19)12-9-10-15(20-3)14(18)11-12/h4-11,16H,19H2,1-3H3
InChIKeyAPNFDJIEUMVLCV-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.81
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine

1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 43474238) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine
PubChem CID43474238
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine
SMILESCOc1ccc(C(N)C(C)(C)c2ccccc2)cc1F
InChIInChI=1S/C17H20FNO/c1-17(2,13-7-5-4-6-8-13)16(19)12-9-10-15(20-3)14(18)11-12/h4-11,16H,19H2,1-3H3
InChIKeyAPNFDJIEUMVLCV-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-amine
CID 24688900
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 43487653
1-(3-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053803
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
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine (CID 43474238) is 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine is COc1ccc(C(N)C(C)(C)c2ccccc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is APNFDJIEUMVLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-17(2,13-7-5-4-6-8-13)16(19)12-9-10-15(20-3)14(18)11-12/h4-11,16H,19H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.81, 4 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-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 43474238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).