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

C18H31NO — CID 79626547

IUPACN-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
SMILESCCNCC(C)(C)COc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H31NO/c1-7-18(5,6)15-9-11-16(12-10-15)20-14-17(3,4)13-19-8-2/h9-12,19H,7-8,13-14H2,1-6H3
InChIKeyAYPYOAJLUNUTPG-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.39
Rot. Bonds8

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

N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine (PubChem CID 79626547) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
PubChem CID79626547
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
SMILESCCNCC(C)(C)COc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H31NO/c1-7-18(5,6)15-9-11-16(12-10-15)20-14-17(3,4)13-19-8-2/h9-12,19H,7-8,13-14H2,1-6H3
InChIKeyAYPYOAJLUNUTPG-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 79626869
N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 79621726
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 62595361
3-(4-chloro-3-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 82727591
N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627888
1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol
CID 66335040
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylpropan-1-amine
CID 29015611
3-(4-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626396
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine
CID 79626871
2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 71322665
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]heptan-1-amine
CID 54797456

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine (CID 79626547) is N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine is CCNCC(C)(C)COc1ccc(C(C)(C)CC)cc1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine?
The InChIKey is AYPYOAJLUNUTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-18(5,6)15-9-11-16(12-10-15)20-14-17(3,4)13-19-8-2/h9-12,19H,7-8,13-14H2,1-6H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine?
N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine is sourced from PubChem (CID 79626547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).