1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride

C14H24Cl2N2O2 — CID 11957121

IUPAC1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride
SMILESCCOc1ccc(Cl)cc1CNCCNCC(C)O.Cl
InChIInChI=1S/C14H23ClN2O2.ClH/c1-3-19-14-5-4-13(15)8-12(14)10-17-7-6-16-9-11(2)18;/h4-5,8,11,16-18H,3,6-7,9-10H2,1-2H3;1H
InChIKeyTZHBSJCZVKMKMM-UHFFFAOYSA-N
MW323.26 g/mol
LogP2.22
Rot. Bonds9

About 1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride

1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride (PubChem CID 11957121) has the molecular formula C14H24Cl2N2O2 and a molecular weight of 323.26 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride
PubChem CID11957121
Molecular FormulaC14H24Cl2N2O2
Molecular Weight323.26 g/mol
Exact Mass322.12
IUPAC Name1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride
SMILESCCOc1ccc(Cl)cc1CNCCNCC(C)O.Cl
InChIInChI=1S/C14H23ClN2O2.ClH/c1-3-19-14-5-4-13(15)8-12(14)10-17-7-6-16-9-11(2)18;/h4-5,8,11,16-18H,3,6-7,9-10H2,1-2H3;1H
InChIKeyTZHBSJCZVKMKMM-UHFFFAOYSA-N
XLogP2.22
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride (CID 11957121) is 1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride is CCOc1ccc(Cl)cc1CNCCNCC(C)O.Cl.
What is the InChIKey of 1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride?
The InChIKey is TZHBSJCZVKMKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2.ClH/c1-3-19-14-5-4-13(15)8-12(14)10-17-7-6-16-9-11(2)18;/h4-5,8,11,16-18H,3,6-7,9-10H2,1-2H3;1H.
What are the key properties of 1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride?
1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride has a molecular weight of 323.26 g/mol, XLogP of 2.22, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 11957121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).