1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine

C13H15ClFNO — CID 117392356

IUPAC1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(F)cc(Cl)c2OC2CC2)CC1
InChIInChI=1S/C13H15ClFNO/c14-11-6-9(15)5-8(7-13(16)3-4-13)12(11)17-10-1-2-10/h5-6,10H,1-4,7,16H2
InChIKeyPTTUBLQXSGXGHJ-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.05
Rot. Bonds4

About 1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine

1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine (PubChem CID 117392356) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine
PubChem CID117392356
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(F)cc(Cl)c2OC2CC2)CC1
InChIInChI=1S/C13H15ClFNO/c14-11-6-9(15)5-8(7-13(16)3-4-13)12(11)17-10-1-2-10/h5-6,10H,1-4,7,16H2
InChIKeyPTTUBLQXSGXGHJ-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine (CID 117392356) is 1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine is NC1(Cc2cc(F)cc(Cl)c2OC2CC2)CC1.
What is the InChIKey of 1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is PTTUBLQXSGXGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-11-6-9(15)5-8(7-13(16)3-4-13)12(11)17-10-1-2-10/h5-6,10H,1-4,7,16H2.
What are the key properties of 1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine?
1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 255.72 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117392356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).