N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine

C16H27NO3 — CID 62451084

IUPACN-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine
SMILESCOc1cccc(OC)c1OCC(C)CNC(C)(C)C
InChIInChI=1S/C16H27NO3/c1-12(10-17-16(2,3)4)11-20-15-13(18-5)8-7-9-14(15)19-6/h7-9,12,17H,10-11H2,1-6H3
InChIKeyAIUYTXDDNMSISX-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.11
Rot. Bonds7

About N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine

N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine (PubChem CID 62451084) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine
PubChem CID62451084
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine
SMILESCOc1cccc(OC)c1OCC(C)CNC(C)(C)C
InChIInChI=1S/C16H27NO3/c1-12(10-17-16(2,3)4)11-20-15-13(18-5)8-7-9-14(15)19-6/h7-9,12,17H,10-11H2,1-6H3
InChIKeyAIUYTXDDNMSISX-UHFFFAOYSA-N
XLogP3.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62450721
N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine
CID 62450901
(4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine
CID 58313669
3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
CID 3695807
1-(2,6-dimethoxyphenoxy)propan-2-ylhydrazine
CID 112512168
1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63929615
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847891
(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 915883
N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine
CID 62484954
2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride
CID 20542041
1-[(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-4-methylpiperazine-1,4-diium
CID 7375631
N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63057600

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine (CID 62451084) is N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine is COc1cccc(OC)c1OCC(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine?
The InChIKey is AIUYTXDDNMSISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12(10-17-16(2,3)4)11-20-15-13(18-5)8-7-9-14(15)19-6/h7-9,12,17H,10-11H2,1-6H3.
What are the key properties of N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine?
N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 62451084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).