(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine

C17H20FNO2 — CID 105035771

IUPAC(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H20FNO2/c1-3-10-21-15-7-5-4-6-13(15)17(19)12-8-9-14(18)16(11-12)20-2/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyCBDIGXBNBPSMBQ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.67
Rot. Bonds6

About (4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine

(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine (PubChem CID 105035771) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine
PubChem CID105035771
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H20FNO2/c1-3-10-21-15-7-5-4-6-13(15)17(19)12-8-9-14(18)16(11-12)20-2/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyCBDIGXBNBPSMBQ-UHFFFAOYSA-N
XLogP3.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
CID 105036008
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015
1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine
CID 105035897
(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
CID 24688761
(2-methoxyphenyl)-(3-propylphenyl)methanamine
CID 116543821
(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115851839
(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine
CID 105180812
(6-methoxypyrimidin-4-yl)-(2-propoxyphenyl)methanamine
CID 102950546
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine (CID 105035771) is (4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)c1ccc(F)c(OC)c1.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine?
The InChIKey is CBDIGXBNBPSMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-3-10-21-15-7-5-4-6-13(15)17(19)12-8-9-14(18)16(11-12)20-2/h4-9,11,17H,3,10,19H2,1-2H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine?
(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine has a molecular weight of 289.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105035771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).