N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine

C16H27NO — CID 112610168

IUPACN-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Oc1c(C)cccc1CNC(C)(C)C
InChIInChI=1S/C16H27NO/c1-7-13(3)18-15-12(2)9-8-10-14(15)11-17-16(4,5)6/h8-10,13,17H,7,11H2,1-6H3
InChIKeyWQPFHDFNLYDTRF-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.06
Rot. Bonds5

About N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine

N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 112610168) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
PubChem CID112610168
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Oc1c(C)cccc1CNC(C)(C)C
InChIInChI=1S/C16H27NO/c1-7-13(3)18-15-12(2)9-8-10-14(15)11-17-16(4,5)6/h8-10,13,17H,7,11H2,1-6H3
InChIKeyWQPFHDFNLYDTRF-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610179
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 112610190
N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610199
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891006
N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 63501583
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 63059393
N-[[3-bromo-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55192514
5-[2-[(tert-butylamino)methyl]-6-methylphenoxy]pentanenitrile
CID 115954209
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737
methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 112610174

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine (CID 112610168) is N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine is CCC(C)Oc1c(C)cccc1CNC(C)(C)C.
What is the InChIKey of N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is WQPFHDFNLYDTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-7-13(3)18-15-12(2)9-8-10-14(15)11-17-16(4,5)6/h8-10,13,17H,7,11H2,1-6H3.
What are the key properties of N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine?
N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 112610168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).