N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine

C17H29NO — CID 79626869

IUPACN,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
SMILESCCC(C)(C)c1ccc(OCC(C)(C)CNC)cc1
InChIInChI=1S/C17H29NO/c1-7-17(4,5)14-8-10-15(11-9-14)19-13-16(2,3)12-18-6/h8-11,18H,7,12-13H2,1-6H3
InChIKeyIHAJMWDWBJOJRR-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.00
Rot. Bonds7

About N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine

N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine (PubChem CID 79626869) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
PubChem CID79626869
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
SMILESCCC(C)(C)c1ccc(OCC(C)(C)CNC)cc1
InChIInChI=1S/C17H29NO/c1-7-17(4,5)14-8-10-15(11-9-14)19-13-16(2,3)12-18-6/h8-11,18H,7,12-13H2,1-6H3
InChIKeyIHAJMWDWBJOJRR-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 79626547
N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227480
N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 79621726
3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine
CID 79626895
3-(4-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626396
3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
CID 79628620
3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79830478
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
N,2,2-trimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 79628455
1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 107506569
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylpropan-1-amine
CID 29015611

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine (CID 79626869) is N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine is CCC(C)(C)c1ccc(OCC(C)(C)CNC)cc1.
What is the InChIKey of N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine?
The InChIKey is IHAJMWDWBJOJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-17(4,5)14-8-10-15(11-9-14)19-13-16(2,3)12-18-6/h8-11,18H,7,12-13H2,1-6H3.
What are the key properties of N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine?
N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine is sourced from PubChem (CID 79626869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).