N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine

C14H23NO2 — CID 104588290

IUPACN-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
SMILESCCOc1ccccc1CNCCOC(C)C
InChIInChI=1S/C14H23NO2/c1-4-16-14-8-6-5-7-13(14)11-15-9-10-17-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyVZCXSHZOLAGNGQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.60
Rot. Bonds8

About N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine

N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine (PubChem CID 104588290) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
PubChem CID104588290
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
SMILESCCOc1ccccc1CNCCOC(C)C
InChIInChI=1S/C14H23NO2/c1-4-16-14-8-6-5-7-13(14)11-15-9-10-17-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyVZCXSHZOLAGNGQ-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.60
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-[(2-propan-2-yloxyethylamino)methyl]phenol
CID 104588313
N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 60695109
1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 2967945
N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine
CID 29300527
N-[(2-ethoxyphenyl)methyl]-3-phenylbutan-1-amine
CID 62403359
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
CID 114332030
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208807
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208974
N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588362
3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28726645
N-[(2-ethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844288

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine (CID 104588290) is N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine is CCOc1ccccc1CNCCOC(C)C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine?
The InChIKey is VZCXSHZOLAGNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-16-14-8-6-5-7-13(14)11-15-9-10-17-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine?
N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 104588290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).