1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride

C14H26Cl2N2O2 — CID 2967945

IUPAC1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
SMILESCCOc1ccccc1CNCCNCC(C)O.Cl.Cl
InChIInChI=1S/C14H24N2O2.2ClH/c1-3-18-14-7-5-4-6-13(14)11-16-9-8-15-10-12(2)17;;/h4-7,12,15-17H,3,8-11H2,1-2H3;2*1H
InChIKeyXPHJXKZWIYLJIX-UHFFFAOYSA-N
MW325.28 g/mol
LogP1.99
Rot. Bonds9

About 1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride

1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride (PubChem CID 2967945) has the molecular formula C14H26Cl2N2O2 and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
PubChem CID2967945
Molecular FormulaC14H26Cl2N2O2
Molecular Weight325.28 g/mol
Exact Mass324.14
IUPAC Name1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
SMILESCCOc1ccccc1CNCCNCC(C)O.Cl.Cl
InChIInChI=1S/C14H24N2O2.2ClH/c1-3-18-14-7-5-4-6-13(14)11-16-9-8-15-10-12(2)17;;/h4-7,12,15-17H,3,8-11H2,1-2H3;2*1H
InChIKeyXPHJXKZWIYLJIX-UHFFFAOYSA-N
XLogP1.99
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 51.99
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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Related Compounds

1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4724419
1-[2-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17216203
N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588290
1-[2-(propylaminomethyl)phenoxy]propan-2-ol
CID 60881781
1-[(2-heptoxyphenyl)methylamino]propan-2-ol
CID 54849266
N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine
CID 29300527
N-[(2-ethoxyphenyl)methyl]-3-phenylbutan-1-amine
CID 62403359
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 75875456
N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride
CID 171151385

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride?
The IUPAC name of 1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride (CID 2967945) is 1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride?
The canonical SMILES for 1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride is CCOc1ccccc1CNCCNCC(C)O.Cl.Cl.
What is the InChIKey of 1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride?
The InChIKey is XPHJXKZWIYLJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2.2ClH/c1-3-18-14-7-5-4-6-13(14)11-16-9-8-15-10-12(2)17;;/h4-7,12,15-17H,3,8-11H2,1-2H3;2*1H.
What are the key properties of 1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride?
1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride has a molecular weight of 325.28 g/mol, XLogP of 1.99, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride is sourced from PubChem (CID 2967945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).