1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine

C15H20F3NO — CID 114521599

IUPAC1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H20F3NO/c1-2-8-19-14(10-15(16,17)18)11-4-3-5-13(9-11)20-12-6-7-12/h3-5,9,12,14,19H,2,6-8,10H2,1H3
InChIKeyXIDHIKHNJNBSSB-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.22
Rot. Bonds7

About 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine

1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine (PubChem CID 114521599) has the molecular formula C15H20F3NO and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
PubChem CID114521599
Molecular FormulaC15H20F3NO
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H20F3NO/c1-2-8-19-14(10-15(16,17)18)11-4-3-5-13(9-11)20-12-6-7-12/h3-5,9,12,14,19H,2,6-8,10H2,1H3
InChIKeyXIDHIKHNJNBSSB-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114521871
N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
CID 114521822
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 114521795
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116506010
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
N-[(3-cyclopropyloxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 114522013
N-[(3-cyclopropyloxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114521996
2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 114521755
N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114521778

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine (CID 114521599) is 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The InChIKey is XIDHIKHNJNBSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-2-8-19-14(10-15(16,17)18)11-4-3-5-13(9-11)20-12-6-7-12/h3-5,9,12,14,19H,2,6-8,10H2,1H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine has a molecular weight of 287.33 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine is sourced from PubChem (CID 114521599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).