N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine

C16H27NO — CID 62353237

IUPACN-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine
SMILESCCNCC(C)(CC)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-16(5,12-17-7-2)18-15-10-8-14(9-11-15)13(3)4/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyAMDBKCIQAQNFJB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.97
Rot. Bonds7

About N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine

N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine (PubChem CID 62353237) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine
PubChem CID62353237
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine
SMILESCCNCC(C)(CC)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-16(5,12-17-7-2)18-15-10-8-14(9-11-15)13(3)4/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyAMDBKCIQAQNFJB-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
N-ethyl-2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine
CID 62355451
2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-2-methylbutan-1-amine
CID 62353443
N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 63509011
2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63488670
2-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62353829
N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine
CID 83108104
2-methyl-N-propyl-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62354231
2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine
CID 55195033
N-ethyl-2-(2-methoxyphenoxy)-2-methylbutan-1-amine
CID 62354236
2-(4-propan-2-ylphenoxy)propane-2-thiol
CID 137410677
2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine
CID 62353436

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine (CID 62353237) is N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine is CCNCC(C)(CC)Oc1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine?
The InChIKey is AMDBKCIQAQNFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-16(5,12-17-7-2)18-15-10-8-14(9-11-15)13(3)4/h8-11,13,17H,6-7,12H2,1-5H3.
What are the key properties of N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine?
N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine is sourced from PubChem (CID 62353237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).