4-(2-butan-2-ylphenoxy)butan-2-amine

C14H23NO — CID 43118978

IUPAC4-(2-butan-2-ylphenoxy)butan-2-amine
SMILESCCC(C)c1ccccc1OCCC(C)N
InChIInChI=1S/C14H23NO/c1-4-11(2)13-7-5-6-8-14(13)16-10-9-12(3)15/h5-8,11-12H,4,9-10,15H2,1-3H3
InChIKeyXVMJZMHZASUSDG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.32
Rot. Bonds6

About 4-(2-butan-2-ylphenoxy)butan-2-amine

4-(2-butan-2-ylphenoxy)butan-2-amine (PubChem CID 43118978) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(2-butan-2-ylphenoxy)butan-2-amine.

Molecular Properties

Compound Name4-(2-butan-2-ylphenoxy)butan-2-amine
PubChem CID43118978
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(2-butan-2-ylphenoxy)butan-2-amine
SMILESCCC(C)c1ccccc1OCCC(C)N
InChIInChI=1S/C14H23NO/c1-4-11(2)13-7-5-6-8-14(13)16-10-9-12(3)15/h5-8,11-12H,4,9-10,15H2,1-3H3
InChIKeyXVMJZMHZASUSDG-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
4-(2-propoxyphenoxy)butan-2-amine
CID 43118980
methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate
CID 63041617
2-(2-butan-2-ylphenoxy)-1-phenylethanamine
CID 43099395
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline
CID 54798092
4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 55143340
4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
CID 2298137
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738
N-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
4-(2-butan-2-ylphenoxy)butanimidamide
CID 24708154
2-amino-4-(2-butan-2-ylphenoxy)-2-methylbutan-1-ol
CID 64804981
N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2923118

Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-ylphenoxy)butan-2-amine?
The IUPAC name of 4-(2-butan-2-ylphenoxy)butan-2-amine (CID 43118978) is 4-(2-butan-2-ylphenoxy)butan-2-amine.
What is the SMILES notation for 4-(2-butan-2-ylphenoxy)butan-2-amine?
The canonical SMILES for 4-(2-butan-2-ylphenoxy)butan-2-amine is CCC(C)c1ccccc1OCCC(C)N.
What is the InChIKey of 4-(2-butan-2-ylphenoxy)butan-2-amine?
The InChIKey is XVMJZMHZASUSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-11(2)13-7-5-6-8-14(13)16-10-9-12(3)15/h5-8,11-12H,4,9-10,15H2,1-3H3.
What are the key properties of 4-(2-butan-2-ylphenoxy)butan-2-amine?
4-(2-butan-2-ylphenoxy)butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-ylphenoxy)butan-2-amine is sourced from PubChem (CID 43118978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).