N-benzyl-1-methoxy-2-methylpropan-2-amine

C12H19NO — CID 71758209

IUPACN-benzyl-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCc1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,10-14-3)13-9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyMOMDLDGSAKAOOQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.20
Rot. Bonds5

About N-benzyl-1-methoxy-2-methylpropan-2-amine

N-benzyl-1-methoxy-2-methylpropan-2-amine (PubChem CID 71758209) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-benzyl-1-methoxy-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-benzyl-1-methoxy-2-methylpropan-2-amine
PubChem CID71758209
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-benzyl-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCc1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,10-14-3)13-9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyMOMDLDGSAKAOOQ-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methoxy-2-methylpropan-2-amine?
The IUPAC name of N-benzyl-1-methoxy-2-methylpropan-2-amine (CID 71758209) is N-benzyl-1-methoxy-2-methylpropan-2-amine.
What is the SMILES notation for N-benzyl-1-methoxy-2-methylpropan-2-amine?
The canonical SMILES for N-benzyl-1-methoxy-2-methylpropan-2-amine is COCC(C)(C)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-methoxy-2-methylpropan-2-amine?
The InChIKey is MOMDLDGSAKAOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,10-14-3)13-9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3.
What are the key properties of N-benzyl-1-methoxy-2-methylpropan-2-amine?
N-benzyl-1-methoxy-2-methylpropan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methoxy-2-methylpropan-2-amine is sourced from PubChem (CID 71758209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).