2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine

C13H20FNO — CID 62106160

IUPAC2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine
SMILESCNCC(OCC(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-10(2)9-16-13(8-15-3)11-4-6-12(14)7-5-11/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyHDNUXCUEULNLST-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.76
Rot. Bonds6

About 2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine

2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine (PubChem CID 62106160) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine
PubChem CID62106160
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine
SMILESCNCC(OCC(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-10(2)9-16-13(8-15-3)11-4-6-12(14)7-5-11/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyHDNUXCUEULNLST-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62107169
1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene
CID 91711845
2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine
CID 66323116
N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62106031
2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
CID 62106822
N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105975
2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106446982
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62107518
N-[2-(4-fluorophenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62108079
N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275302
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456
2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 62109907

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine (CID 62106160) is 2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine is CNCC(OCC(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine?
The InChIKey is HDNUXCUEULNLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)9-16-13(8-15-3)11-4-6-12(14)7-5-11/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine?
2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine has a molecular weight of 225.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 62106160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).