2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine

C17H29NO2 — CID 103228503

IUPAC2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H29NO2/c1-13(2)18-11-16(12-19-6)20-15-9-7-8-14(10-15)17(3,4)5/h7-10,13,16,18H,11-12H2,1-6H3
InChIKeyLOFPFZWRSVMITI-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.38
Rot. Bonds7

About 2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine

2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine (PubChem CID 103228503) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
PubChem CID103228503
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H29NO2/c1-13(2)18-11-16(12-19-6)20-15-9-7-8-14(10-15)17(3,4)5/h7-10,13,16,18H,11-12H2,1-6H3
InChIKeyLOFPFZWRSVMITI-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228325
3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine
CID 103228196
2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228708
N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493
N-(3-methoxy-2-phenoxypropyl)-2-methylpropan-2-amine
CID 103228281
2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine
CID 62486400
N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine
CID 103228176
2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine
CID 103228336
3-(3-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79628807
N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine
CID 139475190
4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
CID 64706884

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine (CID 103228503) is 2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine is COCC(CNC(C)C)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is LOFPFZWRSVMITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)18-11-16(12-19-6)20-15-9-7-8-14(10-15)17(3,4)5/h7-10,13,16,18H,11-12H2,1-6H3.
What are the key properties of 2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103228503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).