1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol

C14H24N2O — CID 2966806

IUPAC1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol
SMILESCCc1ccc(CNCCNCC(C)O)cc1
InChIInChI=1S/C14H24N2O/c1-3-13-4-6-14(7-5-13)11-16-9-8-15-10-12(2)17/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeyLVSVHSNVCDDROX-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.31
Rot. Bonds8

About 1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol

1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol (PubChem CID 2966806) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol
PubChem CID2966806
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol
SMILESCCc1ccc(CNCCNCC(C)O)cc1
InChIInChI=1S/C14H24N2O/c1-3-13-4-6-14(7-5-13)11-16-9-8-15-10-12(2)17/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeyLVSVHSNVCDDROX-UHFFFAOYSA-N
XLogP1.31
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.31
H-Bond Donors ≤ 53
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 1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol (CID 2966806) is 1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol is CCc1ccc(CNCCNCC(C)O)cc1.
What is the InChIKey of 1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol?
The InChIKey is LVSVHSNVCDDROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-13-4-6-14(7-5-13)11-16-9-8-15-10-12(2)17/h4-7,12,15-17H,3,8-11H2,1-2H3.
What are the key properties of 1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol?
1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-ethylphenyl)methylamino]ethylamino]propan-2-ol is sourced from PubChem (CID 2966806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).