(3-cyclopentyloxy-4-phosphanylphenyl)methanamine

C12H18NOP — CID 146429559

IUPAC(3-cyclopentyloxy-4-phosphanylphenyl)methanamine
SMILESNCc1ccc(P)c(OC2CCCC2)c1
InChIInChI=1S/C12H18NOP/c13-8-9-5-6-12(15)11(7-9)14-10-3-1-2-4-10/h5-7,10H,1-4,8,13,15H2
InChIKeyNGLIAZWRUPEJCA-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.97
Rot. Bonds3

About (3-cyclopentyloxy-4-phosphanylphenyl)methanamine

(3-cyclopentyloxy-4-phosphanylphenyl)methanamine (PubChem CID 146429559) has the molecular formula C12H18NOP and a molecular weight of 223.26 g/mol. Its IUPAC name is (3-cyclopentyloxy-4-phosphanylphenyl)methanamine.

Molecular Properties

Compound Name(3-cyclopentyloxy-4-phosphanylphenyl)methanamine
PubChem CID146429559
Molecular FormulaC12H18NOP
Molecular Weight223.26 g/mol
Exact Mass223.11
IUPAC Name(3-cyclopentyloxy-4-phosphanylphenyl)methanamine
SMILESNCc1ccc(P)c(OC2CCCC2)c1
InChIInChI=1S/C12H18NOP/c13-8-9-5-6-12(15)11(7-9)14-10-3-1-2-4-10/h5-7,10H,1-4,8,13,15H2
InChIKeyNGLIAZWRUPEJCA-UHFFFAOYSA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyloxy-4-phosphanylphenyl)methanamine?
The IUPAC name of (3-cyclopentyloxy-4-phosphanylphenyl)methanamine (CID 146429559) is (3-cyclopentyloxy-4-phosphanylphenyl)methanamine.
What is the SMILES notation for (3-cyclopentyloxy-4-phosphanylphenyl)methanamine?
The canonical SMILES for (3-cyclopentyloxy-4-phosphanylphenyl)methanamine is NCc1ccc(P)c(OC2CCCC2)c1.
What is the InChIKey of (3-cyclopentyloxy-4-phosphanylphenyl)methanamine?
The InChIKey is NGLIAZWRUPEJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NOP/c13-8-9-5-6-12(15)11(7-9)14-10-3-1-2-4-10/h5-7,10H,1-4,8,13,15H2.
What are the key properties of (3-cyclopentyloxy-4-phosphanylphenyl)methanamine?
(3-cyclopentyloxy-4-phosphanylphenyl)methanamine has a molecular weight of 223.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyloxy-4-phosphanylphenyl)methanamine is sourced from PubChem (CID 146429559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).