N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine

C15H23NO — CID 86616987

IUPACN-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine
SMILESCOCCN(Cc1ccccc1)C[C@@H]1C[C@H]1C
InChIInChI=1S/C15H23NO/c1-13-10-15(13)12-16(8-9-17-2)11-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t13-,15+/m1/s1
InChIKeyMHLRBWKJKDJCNI-HIFRSBDPSA-N
MW233.36 g/mol
LogP2.79
Rot. Bonds7

About N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine

N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine (PubChem CID 86616987) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine
PubChem CID86616987
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine
SMILESCOCCN(Cc1ccccc1)C[C@@H]1C[C@H]1C
InChIInChI=1S/C15H23NO/c1-13-10-15(13)12-16(8-9-17-2)11-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t13-,15+/m1/s1
InChIKeyMHLRBWKJKDJCNI-HIFRSBDPSA-N
XLogP2.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine?
The IUPAC name of N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine (CID 86616987) is N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine?
The canonical SMILES for N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine is COCCN(Cc1ccccc1)C[C@@H]1C[C@H]1C.
What is the InChIKey of N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine?
The InChIKey is MHLRBWKJKDJCNI-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H23NO/c1-13-10-15(13)12-16(8-9-17-2)11-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine?
N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine is sourced from PubChem (CID 86616987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).