1-phenoxy-N-propan-2-ylbutan-2-amine

C13H21NO — CID 115905778

IUPAC1-phenoxy-N-propan-2-ylbutan-2-amine
SMILESCCC(COc1ccccc1)NC(C)C
InChIInChI=1S/C13H21NO/c1-4-12(14-11(2)3)10-15-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3
InChIKeyHWULILBPDZSMAP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.84
Rot. Bonds6

About 1-phenoxy-N-propan-2-ylbutan-2-amine

1-phenoxy-N-propan-2-ylbutan-2-amine (PubChem CID 115905778) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-phenoxy-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-phenoxy-N-propan-2-ylbutan-2-amine
PubChem CID115905778
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-phenoxy-N-propan-2-ylbutan-2-amine
SMILESCCC(COc1ccccc1)NC(C)C
InChIInChI=1S/C13H21NO/c1-4-12(14-11(2)3)10-15-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3
InChIKeyHWULILBPDZSMAP-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-N-methyl-3-phenoxypropan-2-amine
CID 79574032
(4-methyl-1-phenoxypentan-2-yl)hydrazine
CID 105212878
(3-methyl-1-phenoxypentan-2-yl)hydrazine
CID 105213082
4-methyl-N-(1-phenoxybutan-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 18684657
oxalic acid;(2R,3S)-1-phenoxy-3-(propan-2-ylamino)butan-2-ol
CID 90675134
(5-methyl-1-phenoxyhexan-2-yl)hydrazine
CID 105212879
CID 142401703
CID 142401703
N-ethyl-4-methyl-1-phenoxyheptan-2-amine
CID 62715859
3-naphthalen-2-yloxy-2-(propan-2-ylamino)propan-1-ol
CID 64803525
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
N,N-dimethyl-1,3-diphenoxypropan-2-amine
CID 141461197
ethane;1-phenoxypropan-2-ol
CID 90926921

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-N-propan-2-ylbutan-2-amine?
The IUPAC name of 1-phenoxy-N-propan-2-ylbutan-2-amine (CID 115905778) is 1-phenoxy-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 1-phenoxy-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 1-phenoxy-N-propan-2-ylbutan-2-amine is CCC(COc1ccccc1)NC(C)C.
What is the InChIKey of 1-phenoxy-N-propan-2-ylbutan-2-amine?
The InChIKey is HWULILBPDZSMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-12(14-11(2)3)10-15-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3.
What are the key properties of 1-phenoxy-N-propan-2-ylbutan-2-amine?
1-phenoxy-N-propan-2-ylbutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 115905778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).