3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol

C27H27NO — CID 59570755

IUPAC3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol
SMILESOC(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H27NO/c29-27(26-16-15-24-13-7-8-14-25(24)19-26)17-18-28(20-22-9-3-1-4-10-22)21-23-11-5-2-6-12-23/h1-16,19,27,29H,17-18,20-21H2
InChIKeyLSKYUQCJUDNMJB-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.97
Rot. Bonds8

About 3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol

3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol (PubChem CID 59570755) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol
PubChem CID59570755
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol
SMILESOC(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H27NO/c29-27(26-16-15-24-13-7-8-14-25(24)19-26)17-18-28(20-22-9-3-1-4-10-22)21-23-11-5-2-6-12-23/h1-16,19,27,29H,17-18,20-21H2
InChIKeyLSKYUQCJUDNMJB-UHFFFAOYSA-N
XLogP5.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Danitracen
CID 35758
(1S,2S)-3-(Methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631904
1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol
CID 3083481
2-[2-(Dimethylamino)ethyl]tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ol
CID 11964445
{2-[1-(Dimethylamino)ethyl]phenyl}(2,4-dimethylphenyl)phenylmethanol
CID 2854345
1-(2-Naphthyl)-3-(4-phenyl-1-piperidyl)propan-2-ol
CID 369971
alpha-[[Methyl-[[2'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]methyl]amino]methyl]-benzenemethanol
CID 10249485
(1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol
CID 11630988
(1R,2R)-3-(methylamino)-2-(naphthalen-2-yl)-1-phenylpropan-1-ol
CID 20631901
SN 1796
CID 213804
1-(9-Anthracenylmethyl)-3-piperidinol
CID 2845863
1-(1-Pyrenylmethyl)-3-piperidinol
CID 2846028

Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol (CID 59570755) is 3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol is OC(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol?
The InChIKey is LSKYUQCJUDNMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO/c29-27(26-16-15-24-13-7-8-14-25(24)19-26)17-18-28(20-22-9-3-1-4-10-22)21-23-11-5-2-6-12-23/h1-16,19,27,29H,17-18,20-21H2.
What are the key properties of 3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol?
3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol has a molecular weight of 381.52 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)-1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 59570755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).