(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine

C17H20FNO — CID 104660036

IUPAC(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1cc(F)ccc1C
InChIInChI=1S/C17H20FNO/c1-3-10-20-16-7-5-4-6-14(16)17(19)15-11-13(18)9-8-12(15)2/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyHJPUWYVGKPNICA-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.97
Rot. Bonds5

About (5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine

(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine (PubChem CID 104660036) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
PubChem CID104660036
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1cc(F)ccc1C
InChIInChI=1S/C17H20FNO/c1-3-10-20-16-7-5-4-6-14(16)17(19)15-11-13(18)9-8-12(15)2/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyHJPUWYVGKPNICA-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036006
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434
(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036012
(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035938
(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
CID 105036008
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
(5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115852060
(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine
CID 105035771
(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035965
(2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 115833056

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine?
The IUPAC name of (5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine (CID 104660036) is (5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)c1cc(F)ccc1C.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine?
The InChIKey is HJPUWYVGKPNICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-10-20-16-7-5-4-6-14(16)17(19)15-11-13(18)9-8-12(15)2/h4-9,11,17H,3,10,19H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine?
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine has a molecular weight of 273.35 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 104660036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).