3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride

C14H16ClNO3 — CID 170916397

IUPAC3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride
SMILESCC(N)COc1cc2ccccc2cc1C(=O)O.Cl
InChIInChI=1S/C14H15NO3.ClH/c1-9(15)8-18-13-7-11-5-3-2-4-10(11)6-12(13)14(16)17;/h2-7,9H,8,15H2,1H3,(H,16,17);1H
InChIKeyUCRVNSZGUUBDQT-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.69
Rot. Bonds4

About 3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride

3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride (PubChem CID 170916397) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride
PubChem CID170916397
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride
SMILESCC(N)COc1cc2ccccc2cc1C(=O)O.Cl
InChIInChI=1S/C14H15NO3.ClH/c1-9(15)8-18-13-7-11-5-3-2-4-10(11)6-12(13)14(16)17;/h2-7,9H,8,15H2,1H3,(H,16,17);1H
InChIKeyUCRVNSZGUUBDQT-UHFFFAOYSA-N
XLogP2.69
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylbutoxy)naphthalene-2-carboxylic acid
CID 62104724
5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride
CID 170915770
3-[3-[3-[3-(3-carboxynaphthalen-2-yl)oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalene-2-carboxylic acid
CID 67635252
3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 18069619
4-(2-aminopropoxy)-2-chlorobenzoic acid
CID 167724006
2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702043
6-(2-aminopropoxy)pyridine-2-carboxylic acid
CID 154848823
3-[1-(ethylamino)-1-oxopropan-2-yl]oxynaphthalene-2-carboxylic acid
CID 43089456
3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid
CID 24698009
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
2-(2-methylpropoxy)-4-phenylbenzoic acid
CID 162369990

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride (CID 170916397) is 3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride is CC(N)COc1cc2ccccc2cc1C(=O)O.Cl.
What is the InChIKey of 3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride?
The InChIKey is UCRVNSZGUUBDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3.ClH/c1-9(15)8-18-13-7-11-5-3-2-4-10(11)6-12(13)14(16)17;/h2-7,9H,8,15H2,1H3,(H,16,17);1H.
What are the key properties of 3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride?
3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 170916397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).