2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine

C15H25NO — CID 103984383

IUPAC2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)Cc1ccccc1C
InChIInChI=1S/C15H25NO/c1-12(2)16-10-14(11-17-4)9-15-8-6-5-7-13(15)3/h5-8,12,14,16H,9-11H2,1-4H3
InChIKeyGNTGGHIRVPCZPF-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.80
Rot. Bonds7

About 2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine

2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 103984383) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID103984383
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)Cc1ccccc1C
InChIInChI=1S/C15H25NO/c1-12(2)16-10-14(11-17-4)9-15-8-6-5-7-13(15)3/h5-8,12,14,16H,9-11H2,1-4H3
InChIKeyGNTGGHIRVPCZPF-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
CID 62516134
N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984387
3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529551
2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63521943
2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984660
2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol
CID 166179854
(2R)-1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 791949
6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 104649283
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 103984394
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264
N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine
CID 62718997
2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62528121

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine (CID 103984383) is 2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine is COCC(CNC(C)C)Cc1ccccc1C.
What is the InChIKey of 2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is GNTGGHIRVPCZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)16-10-14(11-17-4)9-15-8-6-5-7-13(15)3/h5-8,12,14,16H,9-11H2,1-4H3.
What are the key properties of 2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine?
2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103984383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).