2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine

C12H18FN — CID 84666441

IUPAC2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(C(C)(C)F)cc1
InChIInChI=1S/C12H18FN/c1-12(2,13)11-6-4-10(5-7-11)8-9-14-3/h4-7,14H,8-9H2,1-3H3
InChIKeyJIPJSJPRNOYEKZ-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.65
Rot. Bonds4

About 2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine

2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine (PubChem CID 84666441) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine
PubChem CID84666441
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(C(C)(C)F)cc1
InChIInChI=1S/C12H18FN/c1-12(2,13)11-6-4-10(5-7-11)8-9-14-3/h4-7,14H,8-9H2,1-3H3
InChIKeyJIPJSJPRNOYEKZ-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine
CID 116991893
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
CID 115227117
3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine
CID 116838654
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine
CID 117304334
4-[2-[4-(2-fluoropropan-2-yl)phenyl]ethyl]-N-prop-1-en-2-ylaniline
CID 143052053
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
3-[4-(1,1-difluoro-3-methylbutyl)phenyl]-N-methylpropan-1-amine
CID 116992242
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine (CID 84666441) is 2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine is CNCCc1ccc(C(C)(C)F)cc1.
What is the InChIKey of 2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine?
The InChIKey is JIPJSJPRNOYEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-12(2,13)11-6-4-10(5-7-11)8-9-14-3/h4-7,14H,8-9H2,1-3H3.
What are the key properties of 2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine?
2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine has a molecular weight of 195.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 84666441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).