1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride

C23H29ClN2O2 — CID 11948843

IUPAC1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride
SMILESCC(O)CNCCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl
InChIInChI=1S/C23H28N2O2.ClH/c1-18(26)15-24-13-14-25-16-22-21-10-6-5-9-20(21)11-12-23(22)27-17-19-7-3-2-4-8-19;/h2-12,18,24-26H,13-17H2,1H3;1H
InChIKeyGCGOMCKFASPXNI-UHFFFAOYSA-N
MW400.95 g/mol
LogP3.90
Rot. Bonds10

About 1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride

1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride (PubChem CID 11948843) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride
PubChem CID11948843
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride
SMILESCC(O)CNCCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl
InChIInChI=1S/C23H28N2O2.ClH/c1-18(26)15-24-13-14-25-16-22-21-10-6-5-9-20(21)11-12-23(22)27-17-19-7-3-2-4-8-19;/h2-12,18,24-26H,13-17H2,1H3;1H
InChIKeyGCGOMCKFASPXNI-UHFFFAOYSA-N
XLogP3.90
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 53.90
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-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride (CID 11948843) is 1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride is CC(O)CNCCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl.
What is the InChIKey of 1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride?
The InChIKey is GCGOMCKFASPXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2.ClH/c1-18(26)15-24-13-14-25-16-22-21-10-6-5-9-20(21)11-12-23(22)27-17-19-7-3-2-4-8-19;/h2-12,18,24-26H,13-17H2,1H3;1H.
What are the key properties of 1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride?
1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 3.90, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 11948843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).