N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine

C15H25NO — CID 62445508

IUPACN-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)COCc1ccccc1CNC(C)C
InChIInChI=1S/C15H25NO/c1-12(2)10-17-11-15-8-6-5-7-14(15)9-16-13(3)4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyGLQPZBDJPUXLBJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.36
Rot. Bonds7

About N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine

N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine (PubChem CID 62445508) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine
PubChem CID62445508
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)COCc1ccccc1CNC(C)C
InChIInChI=1S/C15H25NO/c1-12(2)10-17-11-15-8-6-5-7-14(15)9-16-13(3)4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyGLQPZBDJPUXLBJ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine
CID 62445506
N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
CID 62444314
N-[[2-(but-2-enoxymethyl)phenyl]methyl]propan-2-amine
CID 76943723
N-[[2-(heptoxymethyl)phenyl]methyl]propan-2-amine
CID 63490911
N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 62459872
2-[2-(2-methylpropoxymethyl)phenyl]ethanamine
CID 115464547
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 63448148
N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63496796
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine (CID 62445508) is N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine is CC(C)COCc1ccccc1CNC(C)C.
What is the InChIKey of N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine?
The InChIKey is GLQPZBDJPUXLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)10-17-11-15-8-6-5-7-14(15)9-16-13(3)4/h5-8,12-13,16H,9-11H2,1-4H3.
What are the key properties of N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine?
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62445508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).