2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine

C17H29NO — CID 55107238

IUPAC2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
SMILESCCC(C)(CCOc1ccccc1)CNCC(C)C
InChIInChI=1S/C17H29NO/c1-5-17(4,14-18-13-15(2)3)11-12-19-16-9-7-6-8-10-16/h6-10,15,18H,5,11-14H2,1-4H3
InChIKeyIVTKEHHSNKXNHR-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.12
Rot. Bonds9

About 2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine

2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine (PubChem CID 55107238) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
PubChem CID55107238
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
SMILESCCC(C)(CCOc1ccccc1)CNCC(C)C
InChIInChI=1S/C17H29NO/c1-5-17(4,14-18-13-15(2)3)11-12-19-16-9-7-6-8-10-16/h6-10,15,18H,5,11-14H2,1-4H3
InChIKeyIVTKEHHSNKXNHR-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 63508115
2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
CID 62724275
4-(4-bromophenoxy)-N,2-diethyl-2-methylbutan-1-amine
CID 62726090
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine
CID 62936468
N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63482890
3-methyl-1-phenoxypentan-3-ol
CID 139819683
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
2-ethyl-2-methyl-5-phenoxypentan-1-ol
CID 66059804
3,4-dimethyl-1-phenoxyhexan-3-amine
CID 115001414
2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
CID 62456357
3,4-dimethyl-1-phenoxypentan-3-amine
CID 114998451

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine (CID 55107238) is 2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine is CCC(C)(CCOc1ccccc1)CNCC(C)C.
What is the InChIKey of 2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine?
The InChIKey is IVTKEHHSNKXNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-17(4,14-18-13-15(2)3)11-12-19-16-9-7-6-8-10-16/h6-10,15,18H,5,11-14H2,1-4H3.
What are the key properties of 2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine?
2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine is sourced from PubChem (CID 55107238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).