2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol

C18H25NO — CID 79061565

IUPAC2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1ccc2ccccc2c1)N(C)C
InChIInChI=1S/C18H25NO/c1-5-18(6-2,19(3)4)17(20)16-12-11-14-9-7-8-10-15(14)13-16/h7-13,17,20H,5-6H2,1-4H3
InChIKeyIMLYWMYYVVCMAV-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.99
Rot. Bonds5

About 2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol

2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol (PubChem CID 79061565) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol
PubChem CID79061565
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1ccc2ccccc2c1)N(C)C
InChIInChI=1S/C18H25NO/c1-5-18(6-2,19(3)4)17(20)16-12-11-14-9-7-8-10-15(14)13-16/h7-13,17,20H,5-6H2,1-4H3
InChIKeyIMLYWMYYVVCMAV-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine
CID 79058618
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
2-methoxy-2-methyl-1-naphthalen-2-ylpropan-1-ol
CID 79196831
(2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide
CID 102115212
1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol
CID 69330267
naphthalen-2-ylmethanediol
CID 22496827
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779
2-[[(3,4-difluorophenyl)methyl-propan-2-ylamino]methyl]-2-ethyl-1-naphthalen-2-ylbutan-1-ol
CID 127047328
N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol
CID 60970944
2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol
CID 107865261

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol?
The IUPAC name of 2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol (CID 79061565) is 2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol?
The canonical SMILES for 2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol is CCC(CC)(C(O)c1ccc2ccccc2c1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol?
The InChIKey is IMLYWMYYVVCMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-5-18(6-2,19(3)4)17(20)16-12-11-14-9-7-8-10-15(14)13-16/h7-13,17,20H,5-6H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol?
2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol has a molecular weight of 271.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol is sourced from PubChem (CID 79061565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).