2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine

C16H27NO — CID 55063375

IUPAC2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)Oc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C16H27NO/c1-12-8-9-14(13(10-12)15(2,3)4)18-16(5,6)11-17-7/h8-10,17H,11H2,1-7H3
InChIKeyXNCWTBPNPPWSBK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.67
Rot. Bonds4

About 2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine

2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine (PubChem CID 55063375) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine
PubChem CID55063375
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)Oc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C16H27NO/c1-12-8-9-14(13(10-12)15(2,3)4)18-16(5,6)11-17-7/h8-10,17H,11H2,1-7H3
InChIKeyXNCWTBPNPPWSBK-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64854500
3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804096
(2-tert-butyl-4-methylphenyl) dihydrogen phosphite
CID 19741799
3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine
CID 66357148
2-(4-ethyl-2-methoxyphenoxy)-N,2-dimethylpropan-1-amine
CID 107668292
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]cyclopropanamine
CID 29016012
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2-methylpropan-2-amine;hydrochloride
CID 2866024
2-(4-tert-butylphenoxy)-N,2-dimethylpropan-1-amine
CID 62354404
1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62449489
2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-N-methylcyclopentan-1-amine
CID 79576149
2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine
CID 62354816
2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine
CID 63488678

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine (CID 55063375) is 2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine is CNCC(C)(C)Oc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine?
The InChIKey is XNCWTBPNPPWSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12-8-9-14(13(10-12)15(2,3)4)18-16(5,6)11-17-7/h8-10,17H,11H2,1-7H3.
What are the key properties of 2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine?
2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 55063375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).