1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol

C25H35NO2 — CID 169095466

IUPAC1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol
SMILESCCCCC(O)N(CCC)C1CCc2c(cccc2OCc2ccccc2)C1
InChIInChI=1S/C25H35NO2/c1-3-5-14-25(27)26(17-4-2)22-15-16-23-21(18-22)12-9-13-24(23)28-19-20-10-7-6-8-11-20/h6-13,22,25,27H,3-5,14-19H2,1-2H3
InChIKeyMSZLNNMWODEREO-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.34
Rot. Bonds10

About 1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol

1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol (PubChem CID 169095466) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is 1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol.

Molecular Properties

Compound Name1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol
PubChem CID169095466
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol
SMILESCCCCC(O)N(CCC)C1CCc2c(cccc2OCc2ccccc2)C1
InChIInChI=1S/C25H35NO2/c1-3-5-14-25(27)26(17-4-2)22-15-16-23-21(18-22)12-9-13-24(23)28-19-20-10-7-6-8-11-20/h6-13,22,25,27H,3-5,14-19H2,1-2H3
InChIKeyMSZLNNMWODEREO-UHFFFAOYSA-N
XLogP5.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol?
The IUPAC name of 1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol (CID 169095466) is 1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol.
What is the SMILES notation for 1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol?
The canonical SMILES for 1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol is CCCCC(O)N(CCC)C1CCc2c(cccc2OCc2ccccc2)C1.
What is the InChIKey of 1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol?
The InChIKey is MSZLNNMWODEREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-3-5-14-25(27)26(17-4-2)22-15-16-23-21(18-22)12-9-13-24(23)28-19-20-10-7-6-8-11-20/h6-13,22,25,27H,3-5,14-19H2,1-2H3.
What are the key properties of 1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol?
1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol has a molecular weight of 381.56 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]pentan-1-ol is sourced from PubChem (CID 169095466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).