(5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C25H27NO — CID 146606440

IUPAC(5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCNc1ccc([C@H]2c3ccc(O)cc3CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C25H27NO/c1-2-16-26-21-11-8-19(9-12-21)25-23(18-6-4-3-5-7-18)14-10-20-17-22(27)13-15-24(20)25/h3-9,11-13,15,17,23,25-27H,2,10,14,16H2,1H3/t23-,25+/m0/s1
InChIKeySKRGFRNTCIGCRL-UKILVPOCSA-N
MW357.50 g/mol
LogP6.08
Rot. Bonds5

About (5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

(5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 146606440) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is (5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID146606440
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name(5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCNc1ccc([C@H]2c3ccc(O)cc3CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C25H27NO/c1-2-16-26-21-11-8-19(9-12-21)25-23(18-6-4-3-5-7-18)14-10-20-17-22(27)13-15-24(20)25/h3-9,11-13,15,17,23,25-27H,2,10,14,16H2,1H3/t23-,25+/m0/s1
InChIKeySKRGFRNTCIGCRL-UKILVPOCSA-N
XLogP6.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 146606440) is (5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCNc1ccc([C@H]2c3ccc(O)cc3CC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is SKRGFRNTCIGCRL-UKILVPOCSA-N. The full InChI is InChI=1S/C25H27NO/c1-2-16-26-21-11-8-19(9-12-21)25-23(18-6-4-3-5-7-18)14-10-20-17-22(27)13-15-24(20)25/h3-9,11-13,15,17,23,25-27H,2,10,14,16H2,1H3/t23-,25+/m0/s1.
What are the key properties of (5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
(5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 357.50 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 146606440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).