N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine

C19H27NO — CID 65306366

IUPACN-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine
SMILESCOCCNCC(C)(C)CCc1cccc2ccccc12
InChIInChI=1S/C19H27NO/c1-19(2,15-20-13-14-21-3)12-11-17-9-6-8-16-7-4-5-10-18(16)17/h4-10,20H,11-15H2,1-3H3
InChIKeyAJLCUCWDIJSXJS-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.03
Rot. Bonds8

About N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine

N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine (PubChem CID 65306366) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine
PubChem CID65306366
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine
SMILESCOCCNCC(C)(C)CCc1cccc2ccccc12
InChIInChI=1S/C19H27NO/c1-19(2,15-20-13-14-21-3)12-11-17-9-6-8-16-7-4-5-10-18(16)17/h4-10,20H,11-15H2,1-3H3
InChIKeyAJLCUCWDIJSXJS-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-methyl-5-naphthalen-1-ylpentan-1-amine
CID 65304143
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
2-(2-methoxyethylamino)-N-(2-naphthalen-1-ylethyl)acetamide
CID 119722532
2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol
CID 115137096
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62723751
1-(4-methoxybutyl)naphthalene
CID 69278949
2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine
CID 103178918
2-(2-methoxyethylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119709577
4-(3-bromothiophen-2-yl)-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 80537070
4-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 65309053
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62726236

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine (CID 65306366) is N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine is COCCNCC(C)(C)CCc1cccc2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine?
The InChIKey is AJLCUCWDIJSXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-19(2,15-20-13-14-21-3)12-11-17-9-6-8-16-7-4-5-10-18(16)17/h4-10,20H,11-15H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine?
N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine is sourced from PubChem (CID 65306366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).