N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine

C16H27NO2 — CID 62445450

IUPACN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCOCCOCc1cccc(CNCC(C)C)c1
InChIInChI=1S/C16H27NO2/c1-4-18-8-9-19-13-16-7-5-6-15(10-16)12-17-11-14(2)3/h5-7,10,14,17H,4,8-9,11-13H2,1-3H3
InChIKeyCQOYIQMZCFAYGL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.99
Rot. Bonds10

About N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 62445450) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID62445450
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCOCCOCc1cccc(CNCC(C)C)c1
InChIInChI=1S/C16H27NO2/c1-4-18-8-9-19-13-16-7-5-6-15(10-16)12-17-11-14(2)3/h5-7,10,14,17H,4,8-9,11-13H2,1-3H3
InChIKeyCQOYIQMZCFAYGL-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.99
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

2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62451172
N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
CID 62445525
2-methyl-N-[[3-(2-thiophen-2-ylethoxymethyl)phenyl]methyl]propan-1-amine
CID 62485809
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195
1-(2-ethoxyethoxymethyl)-3-fluorobenzene
CID 173202169
N-[[4-(2-ethoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107688883
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63497350
3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 119723077
N-[[3,5-dibromo-4-(2-phenylmethoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 112752192
2-methyl-N-[[3-(2-propoxyethylsulfanyl)phenyl]methyl]propan-1-amine
CID 106458210
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]benzonitrile
CID 60917979

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine (CID 62445450) is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine is CCOCCOCc1cccc(CNCC(C)C)c1.
What is the InChIKey of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CQOYIQMZCFAYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-18-8-9-19-13-16-7-5-6-15(10-16)12-17-11-14(2)3/h5-7,10,14,17H,4,8-9,11-13H2,1-3H3.
What are the key properties of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62445450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).