3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol

C16H23NO — CID 43771013

IUPAC3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol
SMILESOc1cccc(NC2CCC3CCCCC3C2)c1
InChIInChI=1S/C16H23NO/c18-16-7-3-6-14(11-16)17-15-9-8-12-4-1-2-5-13(12)10-15/h3,6-7,11-13,15,17-18H,1-2,4-5,8-10H2
InChIKeyFZKBDIVEKDSSIW-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.16
Rot. Bonds2

About 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol

3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol (PubChem CID 43771013) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol.

Molecular Properties

Compound Name3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol
PubChem CID43771013
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol
SMILESOc1cccc(NC2CCC3CCCCC3C2)c1
InChIInChI=1S/C16H23NO/c18-16-7-3-6-14(11-16)17-15-9-8-12-4-1-2-5-13(12)10-15/h3,6-7,11-13,15,17-18H,1-2,4-5,8-10H2
InChIKeyFZKBDIVEKDSSIW-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1R,3aR,4S,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]amino]phenol
CID 118730494
3-[[(1R,3aR,4S,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]amino]phenol
CID 155527450
2-{[(4-Cyclohexylphenyl)amino]methyl}phenol
CID 727059
6-Anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 23635615
7-Anilino-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 23635733
6-Anilino-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
CID 23636234
7-Anilino-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
CID 23636236
2-[(4-Phenylanilino)methyl]phenol
CID 43716856
3-[[(1R,3aS,4R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]methylamino]phenol
CID 155516669
2-Anilinotetralin-6-ol
CID 23635616
3-Anilinotetralin-6-ol
CID 23635734
3-Anilinotetralin-5-ol
CID 23636237

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol?
The IUPAC name of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol (CID 43771013) is 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol.
What is the SMILES notation for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol?
The canonical SMILES for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol is Oc1cccc(NC2CCC3CCCCC3C2)c1.
What is the InChIKey of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol?
The InChIKey is FZKBDIVEKDSSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16-7-3-6-14(11-16)17-15-9-8-12-4-1-2-5-13(12)10-15/h3,6-7,11-13,15,17-18H,1-2,4-5,8-10H2.
What are the key properties of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol?
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol has a molecular weight of 245.37 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol is sourced from PubChem (CID 43771013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).