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

C18H25NO — CID 82977951

IUPAC2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol
SMILESCC(C)C(C)N(C)C(C)c1ccc2ccccc2c1O
InChIInChI=1S/C18H25NO/c1-12(2)13(3)19(5)14(4)16-11-10-15-8-6-7-9-17(15)18(16)20/h6-14,20H,1-5H3
InChIKeyYGDKFWDXHGMFQW-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.58
Rot. Bonds4

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

2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol (PubChem CID 82977951) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol
PubChem CID82977951
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol
SMILESCC(C)C(C)N(C)C(C)c1ccc2ccccc2c1O
InChIInChI=1S/C18H25NO/c1-12(2)13(3)19(5)14(4)16-11-10-15-8-6-7-9-17(15)18(16)20/h6-14,20H,1-5H3
InChIKeyYGDKFWDXHGMFQW-UHFFFAOYSA-N
XLogP4.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.58
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-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]naphthalen-1-ol
CID 82958439
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-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol
CID 70490928
N-methyl-N-(1-naphthalen-1-ylethyl)propan-2-amine
CID 22982648
2-[(1R)-2-methyl-1-[[(1R)-1-phenylethyl]amino]propyl]naphthalen-1-ol
CID 131854781
2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol
CID 19862843

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol (CID 82977951) is 2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol is CC(C)C(C)N(C)C(C)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol?
The InChIKey is YGDKFWDXHGMFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-12(2)13(3)19(5)14(4)16-11-10-15-8-6-7-9-17(15)18(16)20/h6-14,20H,1-5H3.
What are the key properties of 2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol?
2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol has a molecular weight of 271.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 82977951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).