1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine

C17H18FNO — CID 114519209

IUPAC1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H18FNO/c18-14-5-1-12(2-6-14)11-17(19)13-3-7-15(8-4-13)20-16-9-10-16/h1-8,16-17H,9-11,19H2
InChIKeyTUECBQXJJMSDOI-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.61
Rot. Bonds5

About 1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine

1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine (PubChem CID 114519209) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine
PubChem CID114519209
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H18FNO/c18-14-5-1-12(2-6-14)11-17(19)13-3-7-15(8-4-13)20-16-9-10-16/h1-8,16-17H,9-11,19H2
InChIKeyTUECBQXJJMSDOI-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine
CID 114519186
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine
CID 116505911
2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999289
1-(4-cyclopropyloxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 114519008
1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine
CID 114519481
1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine
CID 114519451
3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one
CID 119950821
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine (CID 114519209) is 1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine is NC(Cc1ccc(F)cc1)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is TUECBQXJJMSDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-14-5-1-12(2-6-14)11-17(19)13-3-7-15(8-4-13)20-16-9-10-16/h1-8,16-17H,9-11,19H2.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine?
1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 271.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 114519209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).