3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine

C18H22FNO — CID 104794718

IUPAC3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cccc(OC)c1F)c1ccc(C)cc1
InChIInChI=1S/C18H22FNO/c1-13-7-9-14(10-8-13)16(12-20-2)11-15-5-4-6-17(21-3)18(15)19/h4-10,16,20H,11-12H2,1-3H3
InChIKeyZFVAWMIQJSVETM-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.69
Rot. Bonds6

About 3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine

3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine (PubChem CID 104794718) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
PubChem CID104794718
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cccc(OC)c1F)c1ccc(C)cc1
InChIInChI=1S/C18H22FNO/c1-13-7-9-14(10-8-13)16(12-20-2)11-15-5-4-6-17(21-3)18(15)19/h4-10,16,20H,11-12H2,1-3H3
InChIKeyZFVAWMIQJSVETM-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076
2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine
CID 104794735
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 79441963
1-[3-bromo-2-(3-methylphenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795529
1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine
CID 105035513
3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106647002
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 82807584
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514
1-(3-chloro-5-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035700
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 113453772
3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 103984749

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine (CID 104794718) is 3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine is CNCC(Cc1cccc(OC)c1F)c1ccc(C)cc1.
What is the InChIKey of 3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine?
The InChIKey is ZFVAWMIQJSVETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13-7-9-14(10-8-13)16(12-20-2)11-15-5-4-6-17(21-3)18(15)19/h4-10,16,20H,11-12H2,1-3H3.
What are the key properties of 3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine?
3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 104794718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).