N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine

C15H24ClNO2 — CID 112609238

IUPACN-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine
SMILESCCCCOCCOc1c(Cl)cccc1CNCC
InChIInChI=1S/C15H24ClNO2/c1-3-5-9-18-10-11-19-15-13(12-17-4-2)7-6-8-14(15)16/h6-8,17H,3-5,9-12H2,1-2H3
InChIKeyCPDWAGLLCGDHIV-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.64
Rot. Bonds10

About N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine

N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine (PubChem CID 112609238) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine
PubChem CID112609238
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC NameN-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine
SMILESCCCCOCCOc1c(Cl)cccc1CNCC
InChIInChI=1S/C15H24ClNO2/c1-3-5-9-18-10-11-19-15-13(12-17-4-2)7-6-8-14(15)16/h6-8,17H,3-5,9-12H2,1-2H3
InChIKeyCPDWAGLLCGDHIV-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.64
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

N-[[3-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]ethanamine
CID 103409133
N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 115954772
N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 115952890
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
1-chloro-3-(chloromethyl)-2-nonoxybenzene
CID 112613503
methyl 4-[2-chloro-6-(propylaminomethyl)phenoxy]butanoate
CID 115953074
N-[[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 115952959
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
3-butoxy-N-[(3-chloro-2-fluorophenyl)methyl]propan-1-amine
CID 115695701
N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177633
4-[2-chloro-6-(propylaminomethyl)phenoxy]butanenitrile
CID 112609440
N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911151

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine (CID 112609238) is N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine is CCCCOCCOc1c(Cl)cccc1CNCC.
What is the InChIKey of N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine?
The InChIKey is CPDWAGLLCGDHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-3-5-9-18-10-11-19-15-13(12-17-4-2)7-6-8-14(15)16/h6-8,17H,3-5,9-12H2,1-2H3.
What are the key properties of N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine?
N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine has a molecular weight of 285.81 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]ethanamine is sourced from PubChem (CID 112609238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).