[(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine

C14H18FNO — CID 46937339

IUPAC[(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine
SMILESNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C14H18FNO/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16/h3-4,6,9-10,12H,1-2,5,7-8,16H2/t10-,12+/m1/s1
InChIKeyPEJDRJDQIFVYTC-PWSUYJOCSA-N
MW235.30 g/mol
LogP2.68
Rot. Bonds5

About [(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine

[(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine (PubChem CID 46937339) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is [(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine
PubChem CID46937339
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name[(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine
SMILESNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C14H18FNO/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16/h3-4,6,9-10,12H,1-2,5,7-8,16H2/t10-,12+/m1/s1
InChIKeyPEJDRJDQIFVYTC-PWSUYJOCSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine?
The IUPAC name of [(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine (CID 46937339) is [(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine.
What is the SMILES notation for [(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine?
The canonical SMILES for [(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine is NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC1CC1.
What is the InChIKey of [(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine?
The InChIKey is PEJDRJDQIFVYTC-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H18FNO/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16/h3-4,6,9-10,12H,1-2,5,7-8,16H2/t10-,12+/m1/s1.
What are the key properties of [(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine?
[(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine has a molecular weight of 235.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine is sourced from PubChem (CID 46937339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).