2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol

C26H36N2O3 — CID 91111251

IUPAC2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol
SMILESCCCNCCCOc1ccc2c(c1)cc(O)c1cc(OCCCNCCC)ccc12
InChIInChI=1S/C26H36N2O3/c1-3-11-27-13-5-15-30-21-7-9-23-20(17-21)18-26(29)25-19-22(8-10-24(23)25)31-16-6-14-28-12-4-2/h7-10,17-19,27-29H,3-6,11-16H2,1-2H3
InChIKeySGXZLWXAQJWBQO-UHFFFAOYSA-N
MW424.59 g/mol
LogP5.24
Rot. Bonds14

About 2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol

2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol (PubChem CID 91111251) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol.

Molecular Properties

Compound Name2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol
PubChem CID91111251
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol
SMILESCCCNCCCOc1ccc2c(c1)cc(O)c1cc(OCCCNCCC)ccc12
InChIInChI=1S/C26H36N2O3/c1-3-11-27-13-5-15-30-21-7-9-23-20(17-21)18-26(29)25-19-22(8-10-24(23)25)31-16-6-14-28-12-4-2/h7-10,17-19,27-29H,3-6,11-16H2,1-2H3
InChIKeySGXZLWXAQJWBQO-UHFFFAOYSA-N
XLogP5.24
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,7-bis(3-piperidin-1-ylpropoxy)phenanthren-9-ol
CID 91179253
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
10-methyl-3,6-bis[3-(propylamino)propoxy]acridin-9-one
CID 57439740
3-[5-oxo-8-[3-(propylamino)propoxy]dibenzothiophen-2-yl]oxy-N-propylpropan-1-amine
CID 67163442
N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
CID 11463619
N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine
CID 10451764
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylpropan-1-amine
CID 29015611
6-pentoxynaphthalen-1-ol
CID 22144289
3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine
CID 156569114
2,7-bis[2-(propylamino)ethoxy]-10H-acridin-9-one
CID 57439648

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol?
The IUPAC name of 2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol (CID 91111251) is 2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol.
What is the SMILES notation for 2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol?
The canonical SMILES for 2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol is CCCNCCCOc1ccc2c(c1)cc(O)c1cc(OCCCNCCC)ccc12.
What is the InChIKey of 2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol?
The InChIKey is SGXZLWXAQJWBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-3-11-27-13-5-15-30-21-7-9-23-20(17-21)18-26(29)25-19-22(8-10-24(23)25)31-16-6-14-28-12-4-2/h7-10,17-19,27-29H,3-6,11-16H2,1-2H3.
What are the key properties of 2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol?
2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol has a molecular weight of 424.59 g/mol, XLogP of 5.24, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[3-(propylamino)propoxy]phenanthren-9-ol is sourced from PubChem (CID 91111251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).