1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine

C16H22FNO — CID 134553754

IUPAC1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2ccc(F)c(OCC3CCCC3)c2)CC1
InChIInChI=1S/C16H22FNO/c1-18-16(8-9-16)13-6-7-14(17)15(10-13)19-11-12-4-2-3-5-12/h6-7,10,12,18H,2-5,8-9,11H2,1H3
InChIKeyLBRPPOXXCIBTSX-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.60
Rot. Bonds5

About 1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine

1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine (PubChem CID 134553754) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine
PubChem CID134553754
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2ccc(F)c(OCC3CCCC3)c2)CC1
InChIInChI=1S/C16H22FNO/c1-18-16(8-9-16)13-6-7-14(17)15(10-13)19-11-12-4-2-3-5-12/h6-7,10,12,18H,2-5,8-9,11H2,1H3
InChIKeyLBRPPOXXCIBTSX-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine (CID 134553754) is 1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine is CNC1(c2ccc(F)c(OCC3CCCC3)c2)CC1.
What is the InChIKey of 1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine?
The InChIKey is LBRPPOXXCIBTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-18-16(8-9-16)13-6-7-14(17)15(10-13)19-11-12-4-2-3-5-12/h6-7,10,12,18H,2-5,8-9,11H2,1H3.
What are the key properties of 1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine?
1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 134553754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).