3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride

C15H17Cl2NO3 — CID 155346332

IUPAC3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride
SMILESCCC(CN)Oc1cc2cccc(Cl)c2cc1C(=O)O.Cl
InChIInChI=1S/C15H16ClNO3.ClH/c1-2-10(8-17)20-14-6-9-4-3-5-13(16)11(9)7-12(14)15(18)19;/h3-7,10H,2,8,17H2,1H3,(H,18,19);1H
InChIKeyJBIPAZOITRUHHM-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.73
Rot. Bonds5

About 3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride

3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride (PubChem CID 155346332) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride
PubChem CID155346332
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride
SMILESCCC(CN)Oc1cc2cccc(Cl)c2cc1C(=O)O.Cl
InChIInChI=1S/C15H16ClNO3.ClH/c1-2-10(8-17)20-14-6-9-4-3-5-13(16)11(9)7-12(14)15(18)19;/h3-7,10H,2,8,17H2,1H3,(H,18,19);1H
InChIKeyJBIPAZOITRUHHM-UHFFFAOYSA-N
XLogP3.73
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-pentan-3-yloxybenzoic acid
CID 112612073
(2S)-2-(2-chlorophenoxy)butan-1-amine
CID 94266424
8-chloro-3-hydroxynaphthalene-2-carboxylic acid
CID 155346108
4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
CID 120593905
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
5-chloro-3-methoxy-2-pentan-3-yloxybenzoic acid
CID 104665804
2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid
CID 112612004
3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride
CID 170916397
5-chloro-3-methylnaphthalene-2-carboxamide
CID 20773242
3-chloro-2-(2-methylpentoxy)benzoic acid
CID 112612032
2-[2-(aminomethyl)-3-chlorophenoxy]pentanoic acid
CID 83036006
3-(2-methylbutoxy)naphthalene-2-carboxylic acid
CID 62104724

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride (CID 155346332) is 3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride is CCC(CN)Oc1cc2cccc(Cl)c2cc1C(=O)O.Cl.
What is the InChIKey of 3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride?
The InChIKey is JBIPAZOITRUHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3.ClH/c1-2-10(8-17)20-14-6-9-4-3-5-13(16)11(9)7-12(14)15(18)19;/h3-7,10H,2,8,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride?
3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride has a molecular weight of 330.21 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminobutan-2-yloxy)-8-chloronaphthalene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 155346332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).