(2,6-dipropoxyphenyl)methanamine;hydrochloride

C13H22ClNO2 — CID 19835678

IUPAC(2,6-dipropoxyphenyl)methanamine;hydrochloride
SMILESCCCOc1cccc(OCCC)c1CN.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-3-8-15-12-6-5-7-13(11(12)10-14)16-9-4-2;/h5-7H,3-4,8-10,14H2,1-2H3;1H
InChIKeyGXTUEJWOFAOFEA-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.14
Rot. Bonds7

About (2,6-dipropoxyphenyl)methanamine;hydrochloride

(2,6-dipropoxyphenyl)methanamine;hydrochloride (PubChem CID 19835678) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is (2,6-dipropoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,6-dipropoxyphenyl)methanamine;hydrochloride
PubChem CID19835678
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name(2,6-dipropoxyphenyl)methanamine;hydrochloride
SMILESCCCOc1cccc(OCCC)c1CN.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-3-8-15-12-6-5-7-13(11(12)10-14)16-9-4-2;/h5-7H,3-4,8-10,14H2,1-2H3;1H
InChIKeyGXTUEJWOFAOFEA-UHFFFAOYSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dipropoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (2,6-dipropoxyphenyl)methanamine;hydrochloride (CID 19835678) is (2,6-dipropoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2,6-dipropoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (2,6-dipropoxyphenyl)methanamine;hydrochloride is CCCOc1cccc(OCCC)c1CN.Cl.
What is the InChIKey of (2,6-dipropoxyphenyl)methanamine;hydrochloride?
The InChIKey is GXTUEJWOFAOFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.ClH/c1-3-8-15-12-6-5-7-13(11(12)10-14)16-9-4-2;/h5-7H,3-4,8-10,14H2,1-2H3;1H.
What are the key properties of (2,6-dipropoxyphenyl)methanamine;hydrochloride?
(2,6-dipropoxyphenyl)methanamine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dipropoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 19835678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).