(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine

C16H16FNO — CID 114519186

IUPAC(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C16H16FNO/c17-13-5-1-11(2-6-13)16(18)12-3-7-14(8-4-12)19-15-9-10-15/h1-8,15-16H,9-10,18H2
InChIKeyLRWSRZDVKNSPGD-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.41
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine

(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine (PubChem CID 114519186) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine
PubChem CID114519186
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C16H16FNO/c17-13-5-1-11(2-6-13)16(18)12-3-7-14(8-4-12)19-15-9-10-15/h1-8,15-16H,9-10,18H2
InChIKeyLRWSRZDVKNSPGD-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 114519209
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105051381
bis(4-fluorophenyl)methanamine
CID 10955039
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine
CID 105051625
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine
CID 114521611
(4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine
CID 105051389
(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine
CID 114521500
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine
CID 114519512
2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine?
The IUPAC name of (4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine (CID 114519186) is (4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine is NC(c1ccc(F)cc1)c1ccc(OC2CC2)cc1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine?
The InChIKey is LRWSRZDVKNSPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-13-5-1-11(2-6-13)16(18)12-3-7-14(8-4-12)19-15-9-10-15/h1-8,15-16H,9-10,18H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine?
(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine has a molecular weight of 257.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 114519186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).