azane;N-benzyl-2-propan-2-yloxyethanamine

C12H22N2O — CID 68981527

IUPACazane;N-benzyl-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1ccccc1.N
InChIInChI=1S/C12H19NO.H3N/c1-11(2)14-9-8-13-10-12-6-4-3-5-7-12;/h3-7,11,13H,8-10H2,1-2H3;1H3
InChIKeyMUBNITAUJOHHGD-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.36
Rot. Bonds6

About azane;N-benzyl-2-propan-2-yloxyethanamine

azane;N-benzyl-2-propan-2-yloxyethanamine (PubChem CID 68981527) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is azane;N-benzyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Nameazane;N-benzyl-2-propan-2-yloxyethanamine
PubChem CID68981527
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameazane;N-benzyl-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1ccccc1.N
InChIInChI=1S/C12H19NO.H3N/c1-11(2)14-9-8-13-10-12-6-4-3-5-7-12;/h3-7,11,13H,8-10H2,1-2H3;1H3
InChIKeyMUBNITAUJOHHGD-UHFFFAOYSA-N
XLogP2.36
TPSA56.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438060
N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 60977027
2-[2-(benzylamino)ethoxy]butanoic acid
CID 82353059
2-[(2-propan-2-yloxyethylamino)methyl]phenol
CID 104588313
N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588362
2-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60702149
N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 60695109
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
CID 17206477
N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43392652
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934

Frequently Asked Questions

What is the IUPAC name of azane;N-benzyl-2-propan-2-yloxyethanamine?
The IUPAC name of azane;N-benzyl-2-propan-2-yloxyethanamine (CID 68981527) is azane;N-benzyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for azane;N-benzyl-2-propan-2-yloxyethanamine?
The canonical SMILES for azane;N-benzyl-2-propan-2-yloxyethanamine is CC(C)OCCNCc1ccccc1.N.
What is the InChIKey of azane;N-benzyl-2-propan-2-yloxyethanamine?
The InChIKey is MUBNITAUJOHHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.H3N/c1-11(2)14-9-8-13-10-12-6-4-3-5-7-12;/h3-7,11,13H,8-10H2,1-2H3;1H3.
What are the key properties of azane;N-benzyl-2-propan-2-yloxyethanamine?
azane;N-benzyl-2-propan-2-yloxyethanamine has a molecular weight of 210.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-benzyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 68981527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).