2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride

C14H17Cl2NO — CID 6458435

IUPAC2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
SMILESCCNCCOc1ccc(Cl)c2ccccc12.Cl
InChIInChI=1S/C14H16ClNO.ClH/c1-2-16-9-10-17-14-8-7-13(15)11-5-3-4-6-12(11)14;/h3-8,16H,2,9-10H2,1H3;1H
InChIKeyTTYLMFCFKUUBFD-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.90
Rot. Bonds5

About 2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride

2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride (PubChem CID 6458435) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
PubChem CID6458435
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
SMILESCCNCCOc1ccc(Cl)c2ccccc12.Cl
InChIInChI=1S/C14H16ClNO.ClH/c1-2-16-9-10-17-14-8-7-13(15)11-5-3-4-6-12(11)14;/h3-8,16H,2,9-10H2,1H3;1H
InChIKeyTTYLMFCFKUUBFD-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.90
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

(2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine
CID 2181440
N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine
CID 2184430
1-chloro-4-(2-ethoxyethoxy)naphthalene
CID 112769647
1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol
CID 43804642
2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine
CID 79597128
3-(4-chloronaphthalen-1-yl)oxypropanal
CID 63040435
3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine
CID 60800210
N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine
CID 2935926
2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine
CID 6459407
N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine
CID 63691870
N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine
CID 63099179

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride (CID 6458435) is 2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride is CCNCCOc1ccc(Cl)c2ccccc12.Cl.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride?
The InChIKey is TTYLMFCFKUUBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO.ClH/c1-2-16-9-10-17-14-8-7-13(15)11-5-3-4-6-12(11)14;/h3-8,16H,2,9-10H2,1H3;1H.
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride?
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride has a molecular weight of 286.20 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride is sourced from PubChem (CID 6458435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).