2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine

C16H27NO2 — CID 62516668

IUPAC2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine
SMILESCNCC(CCOC(C)C)Cc1ccccc1OC
InChIInChI=1S/C16H27NO2/c1-13(2)19-10-9-14(12-17-3)11-15-7-5-6-8-16(15)18-4/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyCXTSNKRHJARMKI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.89
Rot. Bonds9

About 2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine

2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine (PubChem CID 62516668) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine
PubChem CID62516668
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine
SMILESCNCC(CCOC(C)C)Cc1ccccc1OC
InChIInChI=1S/C16H27NO2/c1-13(2)19-10-9-14(12-17-3)11-15-7-5-6-8-16(15)18-4/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyCXTSNKRHJARMKI-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 62530565
2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62528121
1-(2-methoxyphenyl)-3-(methylamino)propan-2-ol
CID 64983172
2-(furan-3-ylmethyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 83182797
N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456762
2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
CID 62516134
2-[(2-methoxyphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 62515411
6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 104649283
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 62514235
2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine
CID 62719056
ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene
CID 154665730

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine (CID 62516668) is 2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine is CNCC(CCOC(C)C)Cc1ccccc1OC.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine?
The InChIKey is CXTSNKRHJARMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)19-10-9-14(12-17-3)11-15-7-5-6-8-16(15)18-4/h5-8,13-14,17H,9-12H2,1-4H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine?
2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 62516668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).