2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine

C18H31NO — CID 63508115

IUPAC2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
SMILESCCC(CC)(CCOc1ccccc1)CNCC(C)C
InChIInChI=1S/C18H31NO/c1-5-18(6-2,15-19-14-16(3)4)12-13-20-17-10-8-7-9-11-17/h7-11,16,19H,5-6,12-15H2,1-4H3
InChIKeyNNOXDOZSTSZEBK-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.51
Rot. Bonds10

About 2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine

2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine (PubChem CID 63508115) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
PubChem CID63508115
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
SMILESCCC(CC)(CCOc1ccccc1)CNCC(C)C
InChIInChI=1S/C18H31NO/c1-5-18(6-2,15-19-14-16(3)4)12-13-20-17-10-8-7-9-11-17/h7-11,16,19H,5-6,12-15H2,1-4H3
InChIKeyNNOXDOZSTSZEBK-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.51
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-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine
CID 62936468
2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
CID 62724275
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
[3-(chloromethyl)-3-ethylheptoxy]benzene
CID 66034921
2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
CID 62456357
2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 63773755
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
2-ethyl-N-(2-methylpropyl)-2-phenyl-4-propan-2-yloxybutan-1-amine
CID 62725451
3,3-bis(chloromethyl)hexoxybenzene
CID 79447958
3-methyl-1-phenoxypentan-3-ol
CID 139819683
3,4-dimethyl-1-phenoxyhexan-3-amine
CID 115001414

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine?
The IUPAC name of 2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine (CID 63508115) is 2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine?
The canonical SMILES for 2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine is CCC(CC)(CCOc1ccccc1)CNCC(C)C.
What is the InChIKey of 2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine?
The InChIKey is NNOXDOZSTSZEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-18(6-2,15-19-14-16(3)4)12-13-20-17-10-8-7-9-11-17/h7-11,16,19H,5-6,12-15H2,1-4H3.
What are the key properties of 2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine?
2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine is sourced from PubChem (CID 63508115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).