3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol

C23H27NO — CID 59570767

IUPAC3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol
SMILESCC(C)N(CCC(O)c1cccc2ccccc12)Cc1ccccc1
InChIInChI=1S/C23H27NO/c1-18(2)24(17-19-9-4-3-5-10-19)16-15-23(25)22-14-8-12-20-11-6-7-13-21(20)22/h3-14,18,23,25H,15-17H2,1-2H3
InChIKeyAUOOAKWTOWHRAM-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.17
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol

3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol (PubChem CID 59570767) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol
PubChem CID59570767
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol
SMILESCC(C)N(CCC(O)c1cccc2ccccc12)Cc1ccccc1
InChIInChI=1S/C23H27NO/c1-18(2)24(17-19-9-4-3-5-10-19)16-15-23(25)22-14-8-12-20-11-6-7-13-21(20)22/h3-14,18,23,25H,15-17H2,1-2H3
InChIKeyAUOOAKWTOWHRAM-UHFFFAOYSA-N
XLogP5.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 59570704
3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 59570710
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 59570754
3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 62629969
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
CID 90524502
5-chloro-1-naphthalen-1-ylpentan-1-ol
CID 102525591
5-methoxy-1-naphthalen-1-ylpentan-1-ol
CID 112754213
2-(benzylamino)-1-naphthalen-1-ylethanol
CID 126801118
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol (CID 59570767) is 3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol is CC(C)N(CCC(O)c1cccc2ccccc12)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol?
The InChIKey is AUOOAKWTOWHRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-18(2)24(17-19-9-4-3-5-10-19)16-15-23(25)22-14-8-12-20-11-6-7-13-21(20)22/h3-14,18,23,25H,15-17H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol?
3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol has a molecular weight of 333.48 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol is sourced from PubChem (CID 59570767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).