2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine

C15H25NO — CID 62335702

IUPAC2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine
SMILESCNCC(C)OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(10-16-5)17-11-13-6-8-14(9-7-13)15(2,3)4/h6-9,12,16H,10-11H2,1-5H3
InChIKeyRUVFBACTVYBEMT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.11
Rot. Bonds5

About 2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine

2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine (PubChem CID 62335702) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine
PubChem CID62335702
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine
SMILESCNCC(C)OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(10-16-5)17-11-13-6-8-14(9-7-13)15(2,3)4/h6-9,12,16H,10-11H2,1-5H3
InChIKeyRUVFBACTVYBEMT-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(pyridin-4-ylmethoxy)propan-1-amine
CID 62335696
2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine
CID 62337799
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
CID 102987103
2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65125262
1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 10932990
4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
CID 143086936
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105350633
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol
CID 106939509
1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 105136196
1-tert-butyl-4-(trioxidanylmethyl)benzene
CID 88578180
methyl 4-[[2-amino-1-(4-tert-butylphenyl)ethoxy]methyl]benzoate
CID 10545197

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine?
The IUPAC name of 2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine (CID 62335702) is 2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine?
The canonical SMILES for 2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine is CNCC(C)OCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine?
The InChIKey is RUVFBACTVYBEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(10-16-5)17-11-13-6-8-14(9-7-13)15(2,3)4/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of 2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine?
2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine is sourced from PubChem (CID 62335702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).