2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine

C16H27NO — CID 62724275

IUPAC2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(CCOc1ccccc1)CNC(C)C
InChIInChI=1S/C16H27NO/c1-5-16(4,13-17-14(2)3)11-12-18-15-9-7-6-8-10-15/h6-10,14,17H,5,11-13H2,1-4H3
InChIKeyQGOHVQSOLZOJQX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.87
Rot. Bonds8

About 2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine

2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine (PubChem CID 62724275) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
PubChem CID62724275
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(CCOc1ccccc1)CNC(C)C
InChIInChI=1S/C16H27NO/c1-5-16(4,13-17-14(2)3)11-12-18-15-9-7-6-8-10-15/h6-10,14,17H,5,11-13H2,1-4H3
InChIKeyQGOHVQSOLZOJQX-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 55107238
2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine
CID 83151072
2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 63508559
2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 63508115
4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726303
3-methyl-1-phenoxypentan-3-ol
CID 139819683
2-ethyl-2-methyl-5-phenoxypentan-1-ol
CID 66059804
3,4-dimethyl-1-phenoxyhexan-3-amine
CID 115001414
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
3,4-dimethyl-1-phenoxypentan-3-amine
CID 114998451
4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine
CID 62726090
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine
CID 66025781

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine (CID 62724275) is 2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine is CCC(C)(CCOc1ccccc1)CNC(C)C.
What is the InChIKey of 2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine?
The InChIKey is QGOHVQSOLZOJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-16(4,13-17-14(2)3)11-12-18-15-9-7-6-8-10-15/h6-10,14,17H,5,11-13H2,1-4H3.
What are the key properties of 2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine?
2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62724275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).