2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol

C19H27NO — CID 82958439

IUPAC2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol
SMILESCC(c1ccc2ccccc2c1O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C19H27NO/c1-13(20(6)14(2)19(3,4)5)16-12-11-15-9-7-8-10-17(15)18(16)21/h7-14,21H,1-6H3
InChIKeyHWITXNZYSWNWNV-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.97
Rot. Bonds3

About 2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol

2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol (PubChem CID 82958439) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol
PubChem CID82958439
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol
SMILESCC(c1ccc2ccccc2c1O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C19H27NO/c1-13(20(6)14(2)19(3,4)5)16-12-11-15-9-7-8-10-17(15)18(16)21/h7-14,21H,1-6H3
InChIKeyHWITXNZYSWNWNV-UHFFFAOYSA-N
XLogP4.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82977951
2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82958657
2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol
CID 23082396
2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82958441
3-[1-(1-hydroxynaphthalen-2-yl)ethyl-methylamino]-N-methylpropanamide
CID 105400787
2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 104582863
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol
CID 70490928
methyl 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]-2-methylpropanoate
CID 43726068
N-methyl-N-(1-naphthalen-1-ylethyl)propan-2-amine
CID 22982648

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol (CID 82958439) is 2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol is CC(c1ccc2ccccc2c1O)N(C)C(C)C(C)(C)C.
What is the InChIKey of 2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol?
The InChIKey is HWITXNZYSWNWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-13(20(6)14(2)19(3,4)5)16-12-11-15-9-7-8-10-17(15)18(16)21/h7-14,21H,1-6H3.
What are the key properties of 2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol?
2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol has a molecular weight of 285.43 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 82958439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).