N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine

C17H29NO — CID 63501583

IUPACN-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Oc1c(C)cc(CNC(C)(C)C)cc1C
InChIInChI=1S/C17H29NO/c1-8-14(4)19-16-12(2)9-15(10-13(16)3)11-18-17(5,6)7/h9-10,14,18H,8,11H2,1-7H3
InChIKeyXGDDHTNECQZXCZ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.37
Rot. Bonds5

About N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine

N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 63501583) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine
PubChem CID63501583
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Oc1c(C)cc(CNC(C)(C)C)cc1C
InChIInChI=1S/C17H29NO/c1-8-14(4)19-16-12(2)9-15(10-13(16)3)11-18-17(5,6)7/h9-10,14,18H,8,11H2,1-7H3
InChIKeyXGDDHTNECQZXCZ-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]butanoic acid
CID 64669918
N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276756
N-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056484
N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63061825
N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 112610168
3-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]propan-1-ol
CID 63061499
1-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol
CID 63930228
N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890682
N-[[3,5-dimethyl-4-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63501581
N-[[3,5-dibromo-4-(2-methoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107743677
[4-(4-butan-2-yloxy-3,5-dimethylphenyl)-2,6-dimethylphenyl] 2,2-dimethylpropanoate
CID 122522934
methyl 3-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]propanoate
CID 63948895

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine (CID 63501583) is N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine is CCC(C)Oc1c(C)cc(CNC(C)(C)C)cc1C.
What is the InChIKey of N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is XGDDHTNECQZXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-8-14(4)19-16-12(2)9-15(10-13(16)3)11-18-17(5,6)7/h9-10,14,18H,8,11H2,1-7H3.
What are the key properties of N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine?
N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63501583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).