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

C26H29NO — CID 139330652

IUPAC(5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCNCCc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C26H29NO/c1-2-27-17-16-19-8-10-21(11-9-19)26-24(20-6-4-3-5-7-20)14-12-22-18-23(28)13-15-25(22)26/h3-11,13,15,18,24,26-28H,2,12,14,16-17H2,1H3/t24-,26+/m1/s1
InChIKeyVFTWOGSYKDWUCH-RSXGOPAZSA-N
MW371.52 g/mol
LogP5.41
Rot. Bonds6

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

(5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 139330652) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is (5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID139330652
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name(5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCNCCc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C26H29NO/c1-2-27-17-16-19-8-10-21(11-9-19)26-24(20-6-4-3-5-7-20)14-12-22-18-23(28)13-15-25(22)26/h3-11,13,15,18,24,26-28H,2,12,14,16-17H2,1H3/t24-,26+/m1/s1
InChIKeyVFTWOGSYKDWUCH-RSXGOPAZSA-N
XLogP5.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S,6R)-6-phenyl-5-[4-(propylamino)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 146606440
5-[4-[2-(cyclopropylmethylamino)ethyl]phenyl]-6-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139330653
(5R,6S)-5-[4-(methylamino)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923514
(5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 169315914
N-ethyl-2-[4-[(1R,2S)-6-methoxy-2-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]ethanamine
CID 139336500
4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 172797617
(5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134562590
4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butanal
CID 134582383
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate
CID 164923584
5-[4-[methyl-(1-methylazetidin-3-yl)amino]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923642
1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid
CID 164923007

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 139330652) is (5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is CCNCCc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is VFTWOGSYKDWUCH-RSXGOPAZSA-N. The full InChI is InChI=1S/C26H29NO/c1-2-27-17-16-19-8-10-21(11-9-19)26-24(20-6-4-3-5-7-20)14-12-22-18-23(28)13-15-25(22)26/h3-11,13,15,18,24,26-28H,2,12,14,16-17H2,1H3/t24-,26+/m1/s1.
What are the key properties of (5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
(5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 371.52 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[4-[2-(ethylamino)ethyl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 139330652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).