2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine

C16H27NO2 — CID 105349652

IUPAC2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
SMILESCCCCOCCOCc1ccc(CCNC)cc1
InChIInChI=1S/C16H27NO2/c1-3-4-11-18-12-13-19-14-16-7-5-15(6-8-16)9-10-17-2/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyGCNSVAQYUIUHSU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.78
Rot. Bonds11

About 2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine

2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine (PubChem CID 105349652) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
PubChem CID105349652
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
SMILESCCCCOCCOCc1ccc(CCNC)cc1
InChIInChI=1S/C16H27NO2/c1-3-4-11-18-12-13-19-14-16-7-5-15(6-8-16)9-10-17-2/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyGCNSVAQYUIUHSU-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.78
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-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine
CID 105350948
1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62457147
2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine
CID 106205912
3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
CID 82831550
2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine
CID 105348956
N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62457543
N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine
CID 105348927
2-[4-(butoxymethyl)phenyl]ethyl-[2-[4-(butoxymethyl)phenyl]ethyl-dimethylsilyl]oxy-dimethylsilane
CID 67801522
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine
CID 65125313

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine (CID 105349652) is 2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine is CCCCOCCOCc1ccc(CCNC)cc1.
What is the InChIKey of 2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine?
The InChIKey is GCNSVAQYUIUHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-4-11-18-12-13-19-14-16-7-5-15(6-8-16)9-10-17-2/h5-8,17H,3-4,9-14H2,1-2H3.
What are the key properties of 2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine?
2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 105349652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).