N-cyclopentyloxy-1-(4-methylphenyl)methanamine

C13H19NO — CID 83229470

IUPACN-cyclopentyloxy-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNOC2CCCC2)cc1
InChIInChI=1S/C13H19NO/c1-11-6-8-12(9-7-11)10-14-15-13-4-2-3-5-13/h6-9,13-14H,2-5,10H2,1H3
InChIKeyZEXVDKMAPIVNMB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.96
Rot. Bonds4

About N-cyclopentyloxy-1-(4-methylphenyl)methanamine

N-cyclopentyloxy-1-(4-methylphenyl)methanamine (PubChem CID 83229470) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(4-methylphenyl)methanamine
PubChem CID83229470
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-cyclopentyloxy-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNOC2CCCC2)cc1
InChIInChI=1S/C13H19NO/c1-11-6-8-12(9-7-11)10-14-15-13-4-2-3-5-13/h6-9,13-14H,2-5,10H2,1H3
InChIKeyZEXVDKMAPIVNMB-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(4-methylphenyl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(4-methylphenyl)methanamine (CID 83229470) is N-cyclopentyloxy-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(4-methylphenyl)methanamine is Cc1ccc(CNOC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyloxy-1-(4-methylphenyl)methanamine?
The InChIKey is ZEXVDKMAPIVNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-6-8-12(9-7-11)10-14-15-13-4-2-3-5-13/h6-9,13-14H,2-5,10H2,1H3.
What are the key properties of N-cyclopentyloxy-1-(4-methylphenyl)methanamine?
N-cyclopentyloxy-1-(4-methylphenyl)methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 83229470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).