2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol

C18H25NO — CID 60970944

IUPAC2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol
SMILESCCCC(C)N(C)CC(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-4-7-14(2)19(3)13-18(20)17-11-10-15-8-5-6-9-16(15)12-17/h5-6,8-12,14,18,20H,4,7,13H2,1-3H3
InChIKeyXOMVXDXZJBXZHV-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.99
Rot. Bonds6

About 2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol

2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol (PubChem CID 60970944) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol
PubChem CID60970944
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol
SMILESCCCC(C)N(C)CC(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-4-7-14(2)19(3)13-18(20)17-11-10-15-8-5-6-9-16(15)12-17/h5-6,8-12,14,18,20H,4,7,13H2,1-3H3
InChIKeyXOMVXDXZJBXZHV-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol
CID 54949004
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-N-propan-2-ylacetamide
CID 125463943
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
1-chrysen-2-ylbutan-1-ol
CID 88920736
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol
CID 65136583
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol
CID 82216002
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol?
The IUPAC name of 2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol (CID 60970944) is 2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol is CCCC(C)N(C)CC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol?
The InChIKey is XOMVXDXZJBXZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-7-14(2)19(3)13-18(20)17-11-10-15-8-5-6-9-16(15)12-17/h5-6,8-12,14,18,20H,4,7,13H2,1-3H3.
What are the key properties of 2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol?
2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol has a molecular weight of 271.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 60970944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).