1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine

C17H20FNO — CID 61032657

IUPAC1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(OC(C)C)cc2)cc1F
InChIInChI=1S/C17H20FNO/c1-12(2)20-16-8-6-13(7-9-16)14-4-5-15(11-19-3)17(18)10-14/h4-10,12,19H,11H2,1-3H3
InChIKeyHVSUQZYTPWGWGB-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.00
Rot. Bonds5

About 1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine

1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine (PubChem CID 61032657) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine
PubChem CID61032657
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(OC(C)C)cc2)cc1F
InChIInChI=1S/C17H20FNO/c1-12(2)20-16-8-6-13(7-9-16)14-4-5-15(11-19-3)17(18)10-14/h4-10,12,19H,11H2,1-3H3
InChIKeyHVSUQZYTPWGWGB-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine
CID 63424766
1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine
CID 79690156
1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911708
1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
CID 84659103
1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503173
2-fluoro-5-(4-propan-2-yloxyphenyl)aniline
CID 82085777
1-[4-(3-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61227637
1-(3,4-difluoro-2-propan-2-yloxyphenyl)-N-methylmethanamine
CID 83886577
2-fluoro-6-(4-propan-2-yloxyphenyl)naphthalene
CID 71063289
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
2-methyl-4-(methylaminomethyl)-6-(4-propan-2-yloxyphenyl)pyridazin-3-one
CID 82444356
4-propan-2-yloxy-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052213

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine (CID 61032657) is 1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine is CNCc1ccc(-c2ccc(OC(C)C)cc2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine?
The InChIKey is HVSUQZYTPWGWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12(2)20-16-8-6-13(7-9-16)14-4-5-15(11-19-3)17(18)10-14/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine?
1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(4-propan-2-yloxyphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 61032657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).