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

C18H20FNO — CID 105044855

IUPAC(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(C3CCC3)cc2)ccc1F
InChIInChI=1S/C18H20FNO/c1-21-17-11-15(9-10-16(17)19)18(20)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18H,2-4,20H2,1H3
InChIKeyGSDLKDLAPVMVOI-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.15
Rot. Bonds4

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

(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine (PubChem CID 105044855) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
PubChem CID105044855
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(C3CCC3)cc2)ccc1F
InChIInChI=1S/C18H20FNO/c1-21-17-11-15(9-10-16(17)19)18(20)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18H,2-4,20H2,1H3
InChIKeyGSDLKDLAPVMVOI-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115836236
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105051381
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
CID 107995408
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288243
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine
CID 105044946
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
(1S,2R)-2-amino-1-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)ethanol;hydrochloride
CID 171159905

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine (CID 105044855) is (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine is COc1cc(C(N)c2ccc(C3CCC3)cc2)ccc1F.
What is the InChIKey of (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is GSDLKDLAPVMVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-21-17-11-15(9-10-16(17)19)18(20)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18H,2-4,20H2,1H3.
What are the key properties of (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine?
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 285.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105044855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).