(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine

C17H18FNO2 — CID 105051381

IUPAC(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(OC3CC3)cc2)ccc1F
InChIInChI=1S/C17H18FNO2/c1-20-16-10-12(4-9-15(16)18)17(19)11-2-5-13(6-3-11)21-14-7-8-14/h2-6,9-10,14,17H,7-8,19H2,1H3
InChIKeyWZRILNXMJJGUKJ-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.42
Rot. Bonds5

About (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine

(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine (PubChem CID 105051381) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
PubChem CID105051381
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(OC3CC3)cc2)ccc1F
InChIInChI=1S/C17H18FNO2/c1-20-16-10-12(4-9-15(16)18)17(19)11-2-5-13(6-3-11)21-14-7-8-14/h2-6,9-10,14,17H,7-8,19H2,1H3
InChIKeyWZRILNXMJJGUKJ-UHFFFAOYSA-N
XLogP3.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115838349
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105044855
(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine
CID 114519186
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
(4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine
CID 105051389
(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine
CID 114521500
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine
CID 105051625
2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288243
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol
CID 114518537
(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474116

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine (CID 105051381) is (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine is COc1cc(C(N)c2ccc(OC3CC3)cc2)ccc1F.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is WZRILNXMJJGUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-20-16-10-12(4-9-15(16)18)17(19)11-2-5-13(6-3-11)21-14-7-8-14/h2-6,9-10,14,17H,7-8,19H2,1H3.
What are the key properties of (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 287.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105051381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).