2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine

C16H20ClNO — CID 79597128

IUPAC2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine
SMILESCCNCCOCCc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H20ClNO/c1-2-18-10-12-19-11-9-13-7-8-16(17)15-6-4-3-5-14(13)15/h3-8,18H,2,9-12H2,1H3
InChIKeyCQAIFVQXWARJTO-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.66
Rot. Bonds7

About 2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine

2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine (PubChem CID 79597128) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine
PubChem CID79597128
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine
SMILESCCNCCOCCc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H20ClNO/c1-2-18-10-12-19-11-9-13-7-8-16(17)15-6-4-3-5-14(13)15/h3-8,18H,2,9-12H2,1H3
InChIKeyCQAIFVQXWARJTO-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.66
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

4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine
CID 79597058
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 79593271
6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine
CID 79593269
2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine
CID 113319292
2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine
CID 62336671
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine
CID 65303014
N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine
CID 65305034
4-(4-chloronaphthalen-1-yl)-N-propan-2-ylbutan-1-amine
CID 79596780
1-chloro-4-[(4-chloronaphthalen-1-yl)methyl]naphthalene
CID 172751117
3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine
CID 60800210

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine?
The IUPAC name of 2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine (CID 79597128) is 2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine?
The canonical SMILES for 2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine is CCNCCOCCc1ccc(Cl)c2ccccc12.
What is the InChIKey of 2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine?
The InChIKey is CQAIFVQXWARJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-2-18-10-12-19-11-9-13-7-8-16(17)15-6-4-3-5-14(13)15/h3-8,18H,2,9-12H2,1H3.
What are the key properties of 2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine?
2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloronaphthalen-1-yl)ethoxy]-N-ethylethanamine is sourced from PubChem (CID 79597128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).