1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine

C16H22FNO — CID 55014609

IUPAC1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine
SMILESFc1ccc(C(NCC2CCCCO2)C2CC2)cc1
InChIInChI=1S/C16H22FNO/c17-14-8-6-13(7-9-14)16(12-4-5-12)18-11-15-3-1-2-10-19-15/h6-9,12,15-16,18H,1-5,10-11H2
InChIKeyOOXWLFPYKSAAJW-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.44
Rot. Bonds5

About 1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine

1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine (PubChem CID 55014609) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine
PubChem CID55014609
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine
SMILESFc1ccc(C(NCC2CCCCO2)C2CC2)cc1
InChIInChI=1S/C16H22FNO/c17-14-8-6-13(7-9-14)16(12-4-5-12)18-11-15-3-1-2-10-19-15/h6-9,12,15-16,18H,1-5,10-11H2
InChIKeyOOXWLFPYKSAAJW-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
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(2-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746787
3-(4-Fluorophenyl)morpholine
CID 3831072
3-Phenylmorpholine
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US10233152, Example 124
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4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, cis-
CID 3079305

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine (CID 55014609) is 1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine is Fc1ccc(C(NCC2CCCCO2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine?
The InChIKey is OOXWLFPYKSAAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-14-8-6-13(7-9-14)16(12-4-5-12)18-11-15-3-1-2-10-19-15/h6-9,12,15-16,18H,1-5,10-11H2.
What are the key properties of 1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine?
1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine has a molecular weight of 263.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine is sourced from PubChem (CID 55014609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).