3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol

C17H23NO — CID 106287465

IUPAC3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNc1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c1-3-13(4-2)17(19)12-18-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17-19H,3-4,12H2,1-2H3
InChIKeyHXZHLHCUYCFSRF-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.05
Rot. Bonds6

About 3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol

3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol (PubChem CID 106287465) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol
PubChem CID106287465
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNc1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c1-3-13(4-2)17(19)12-18-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17-19H,3-4,12H2,1-2H3
InChIKeyHXZHLHCUYCFSRF-UHFFFAOYSA-N
XLogP4.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid
CID 167305081
1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
CID 106989395
2-(naphthalen-2-ylamino)-N-(1-phenylpropyl)acetamide
CID 54839833
2-methyl-1-(naphthalen-2-ylamino)pentan-2-ol
CID 106294557
1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60908807
1-cyclopentyl-3-(naphthalen-2-ylamino)propan-2-ol
CID 103157283
2-(3-methylanilino)-1-naphthalen-2-ylethanol
CID 60903235
N-(2,2,3-trimethylbutyl)naphthalen-2-amine
CID 114100780
N-tert-butylnaphthalen-2-amine
CID 13200783
2-(naphthalen-2-ylamino)acetonitrile
CID 43420244
N-hexadecylnaphthalen-2-amine
CID 12796089
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol (CID 106287465) is 3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol is CCC(CC)C(O)CNc1ccc2ccccc2c1.
What is the InChIKey of 3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol?
The InChIKey is HXZHLHCUYCFSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-13(4-2)17(19)12-18-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13,17-19H,3-4,12H2,1-2H3.
What are the key properties of 3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol?
3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol has a molecular weight of 257.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol is sourced from PubChem (CID 106287465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).