2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine

C16H25NO3 — CID 107943448

IUPAC2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
SMILESCCCOc1ccc(OC2CC(N)C2OCCC)cc1
InChIInChI=1S/C16H25NO3/c1-3-9-18-12-5-7-13(8-6-12)20-15-11-14(17)16(15)19-10-4-2/h5-8,14-16H,3-4,9-11,17H2,1-2H3
InChIKeyDXKXWNYELVQTHG-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.75
Rot. Bonds8

About 2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine

2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine (PubChem CID 107943448) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
PubChem CID107943448
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
SMILESCCCOc1ccc(OC2CC(N)C2OCCC)cc1
InChIInChI=1S/C16H25NO3/c1-3-9-18-12-5-7-13(8-6-12)20-15-11-14(17)16(15)19-10-4-2/h5-8,14-16H,3-4,9-11,17H2,1-2H3
InChIKeyDXKXWNYELVQTHG-UHFFFAOYSA-N
XLogP2.75
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine
CID 107943861
3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943230
3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine
CID 107943277
3-(3-ethoxyphenoxy)-2-propoxycyclobutan-1-amine
CID 107943638
3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine
CID 107943680
N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 104674553
3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine
CID 107943855
2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 66357616
1-(3-chloro-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 114018894
3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol
CID 114018846
2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine
CID 104674348
3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943280

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine?
The IUPAC name of 2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine (CID 107943448) is 2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine?
The canonical SMILES for 2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine is CCCOc1ccc(OC2CC(N)C2OCCC)cc1.
What is the InChIKey of 2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine?
The InChIKey is DXKXWNYELVQTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-9-18-12-5-7-13(8-6-12)20-15-11-14(17)16(15)19-10-4-2/h5-8,14-16H,3-4,9-11,17H2,1-2H3.
What are the key properties of 2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine?
2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 107943448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).