6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

C27H31NO — CID 19926577

IUPAC6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCC(CC(c1ccccc1)c1ccccc1)NC1CCc2c(O)cccc2C1
InChIInChI=1S/C27H31NO/c1-2-23(28-24-16-17-25-22(18-24)14-9-15-27(25)29)19-26(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,23-24,26,28-29H,2,16-19H2,1H3
InChIKeyLEHRKVVYOUMUGO-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.84
Rot. Bonds7

About 6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 19926577) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is 6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID19926577
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCC(CC(c1ccccc1)c1ccccc1)NC1CCc2c(O)cccc2C1
InChIInChI=1S/C27H31NO/c1-2-23(28-24-16-17-25-22(18-24)14-9-15-27(25)29)19-26(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,23-24,26,28-29H,2,16-19H2,1H3
InChIKeyLEHRKVVYOUMUGO-UHFFFAOYSA-N
XLogP5.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 19926577) is 6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is CCC(CC(c1ccccc1)c1ccccc1)NC1CCc2c(O)cccc2C1.
What is the InChIKey of 6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is LEHRKVVYOUMUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO/c1-2-23(28-24-16-17-25-22(18-24)14-9-15-27(25)29)19-26(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,23-24,26,28-29H,2,16-19H2,1H3.
What are the key properties of 6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 385.55 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-diphenylpentan-3-ylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 19926577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).