1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine

C14H23NO — CID 16786972

IUPAC1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
SMILESCCC(C)(C)c1ccc(OCC(C)N)cc1
InChIInChI=1S/C14H23NO/c1-5-14(3,4)12-6-8-13(9-7-12)16-10-11(2)15/h6-9,11H,5,10,15H2,1-4H3
InChIKeyAPJALCWZMUDIKS-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.10
Rot. Bonds5

About 1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine

1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine (PubChem CID 16786972) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
PubChem CID16786972
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
SMILESCCC(C)(C)c1ccc(OCC(C)N)cc1
InChIInChI=1S/C14H23NO/c1-5-14(3,4)12-6-8-13(9-7-12)16-10-11(2)15/h6-9,11H,5,10,15H2,1-4H3
InChIKeyAPJALCWZMUDIKS-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 9159137
(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine
CID 28537427
(2S)-1-(4-methoxyphenoxy)propan-2-amine
CID 7263362
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
CID 54799086
1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 107506569
(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 63074115
2-amino-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide
CID 63040659
1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 103160587
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197050

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine?
The IUPAC name of 1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine (CID 16786972) is 1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine.
What is the SMILES notation for 1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine?
The canonical SMILES for 1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine is CCC(C)(C)c1ccc(OCC(C)N)cc1.
What is the InChIKey of 1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine?
The InChIKey is APJALCWZMUDIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-14(3,4)12-6-8-13(9-7-12)16-10-11(2)15/h6-9,11H,5,10,15H2,1-4H3.
What are the key properties of 1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine?
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine is sourced from PubChem (CID 16786972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).