(2,6-dibutoxyphenyl)methanamine;hydrochloride

C15H26ClNO2 — CID 19835688

IUPAC(2,6-dibutoxyphenyl)methanamine;hydrochloride
SMILESCCCCOc1cccc(OCCCC)c1CN.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-3-5-10-17-14-8-7-9-15(13(14)12-16)18-11-6-4-2;/h7-9H,3-6,10-12,16H2,1-2H3;1H
InChIKeyYPDFZLVMJUHPBI-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.92
Rot. Bonds9

About (2,6-dibutoxyphenyl)methanamine;hydrochloride

(2,6-dibutoxyphenyl)methanamine;hydrochloride (PubChem CID 19835688) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is (2,6-dibutoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,6-dibutoxyphenyl)methanamine;hydrochloride
PubChem CID19835688
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC Name(2,6-dibutoxyphenyl)methanamine;hydrochloride
SMILESCCCCOc1cccc(OCCCC)c1CN.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-3-5-10-17-14-8-7-9-15(13(14)12-16)18-11-6-4-2;/h7-9H,3-6,10-12,16H2,1-2H3;1H
InChIKeyYPDFZLVMJUHPBI-UHFFFAOYSA-N
XLogP3.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dibutoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (2,6-dibutoxyphenyl)methanamine;hydrochloride (CID 19835688) is (2,6-dibutoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2,6-dibutoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (2,6-dibutoxyphenyl)methanamine;hydrochloride is CCCCOc1cccc(OCCCC)c1CN.Cl.
What is the InChIKey of (2,6-dibutoxyphenyl)methanamine;hydrochloride?
The InChIKey is YPDFZLVMJUHPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2.ClH/c1-3-5-10-17-14-8-7-9-15(13(14)12-16)18-11-6-4-2;/h7-9H,3-6,10-12,16H2,1-2H3;1H.
What are the key properties of (2,6-dibutoxyphenyl)methanamine;hydrochloride?
(2,6-dibutoxyphenyl)methanamine;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibutoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 19835688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).