N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine

C18H24ClNO2 — CID 2935926

IUPACN-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine
SMILESCCC(C)NCCOCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H24ClNO2/c1-3-14(2)20-10-11-21-12-13-22-18-9-8-17(19)15-6-4-5-7-16(15)18/h4-9,14,20H,3,10-13H2,1-2H3
InChIKeyDCMLHASVCBLPNN-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.28
Rot. Bonds9

About N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine

N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine (PubChem CID 2935926) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine
PubChem CID2935926
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC NameN-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine
SMILESCCC(C)NCCOCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H24ClNO2/c1-3-14(2)20-10-11-21-12-13-22-18-9-8-17(19)15-6-4-5-7-16(15)18/h4-9,14,20H,3,10-13H2,1-2H3
InChIKeyDCMLHASVCBLPNN-UHFFFAOYSA-N
XLogP4.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine
CID 2935622
(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2184444
1-chloro-4-(2-ethoxyethoxy)naphthalene
CID 112769647
(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919
N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine
CID 2934297
N-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethyl]butan-2-amine;oxalic acid
CID 2936079
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine
CID 30088160
N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2935222
(2R)-N-[2-(2-chloro-4-methylphenoxy)ethyl]butan-2-amine
CID 2183230
1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene
CID 2898841

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine?
The IUPAC name of N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine (CID 2935926) is N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine.
What is the SMILES notation for N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine?
The canonical SMILES for N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine is CCC(C)NCCOCCOc1ccc(Cl)c2ccccc12.
What is the InChIKey of N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine?
The InChIKey is DCMLHASVCBLPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO2/c1-3-14(2)20-10-11-21-12-13-22-18-9-8-17(19)15-6-4-5-7-16(15)18/h4-9,14,20H,3,10-13H2,1-2H3.
What are the key properties of N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine?
N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine has a molecular weight of 321.85 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine is sourced from PubChem (CID 2935926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).