1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

C18H22FN — CID 63083908

IUPAC1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1ccccc1F
InChIInChI=1S/C18H22FN/c1-13(2)15-10-8-14(9-11-15)12-18(20-3)16-6-4-5-7-17(16)19/h4-11,13,18,20H,12H2,1-3H3
InChIKeyKZSNDDGBLSVCFL-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.45
Rot. Bonds5

About 1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 63083908) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID63083908
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1ccccc1F
InChIInChI=1S/C18H22FN/c1-13(2)15-10-8-14(9-11-15)12-18(20-3)16-6-4-5-7-17(16)19/h4-11,13,18,20H,12H2,1-3H3
InChIKeyKZSNDDGBLSVCFL-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63413775
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844233
1-(2-fluorophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 61078359
1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61065172
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 114906488
1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107952774
1-(2,3-dimethylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844094
2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 62537490
1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480563
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63420064
1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 106857333
2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (CID 63083908) is 1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is CNC(Cc1ccc(C(C)C)cc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is KZSNDDGBLSVCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13(2)15-10-8-14(9-11-15)12-18(20-3)16-6-4-5-7-17(16)19/h4-11,13,18,20H,12H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 63083908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).