2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine

C18H25NO — CID 82138622

IUPAC2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine
SMILESCCC(CC)(CN)CCOc1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-3-18(4-2,14-19)11-12-20-17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13H,3-4,11-12,14,19H2,1-2H3
InChIKeyCLELKFRSQALTJD-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.37
Rot. Bonds7

About 2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine

2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine (PubChem CID 82138622) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine
PubChem CID82138622
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine
SMILESCCC(CC)(CN)CCOc1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-3-18(4-2,14-19)11-12-20-17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13H,3-4,11-12,14,19H2,1-2H3
InChIKeyCLELKFRSQALTJD-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-naphthalen-2-yloxybutan-2-amine
CID 10561404
4-(4-bromophenoxy)-2,2-diethylbutan-1-amine
CID 55106538
5-(3,4-dimethylphenoxy)-2,2-diethylpentan-1-amine
CID 82138572
2-ethoxynaphthalene
CID 118978197
2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
CID 65248421
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine
CID 82138894
2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol
CID 106508332
2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide
CID 65259756
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
triethyl(2-naphthalen-2-yloxyethyl)azanium bromide
CID 12889861
2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile
CID 82138838

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine?
The IUPAC name of 2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine (CID 82138622) is 2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine.
What is the SMILES notation for 2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine?
The canonical SMILES for 2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine is CCC(CC)(CN)CCOc1ccc2ccccc2c1.
What is the InChIKey of 2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine?
The InChIKey is CLELKFRSQALTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-18(4-2,14-19)11-12-20-17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13H,3-4,11-12,14,19H2,1-2H3.
What are the key properties of 2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine?
2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine is sourced from PubChem (CID 82138622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).