3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine

C14H20ClNO2 — CID 107943280

IUPAC3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(Cl)cc1C
InChIInChI=1S/C14H20ClNO2/c1-3-6-17-14-11(16)8-13(14)18-12-5-4-10(15)7-9(12)2/h4-5,7,11,13-14H,3,6,8,16H2,1-2H3
InChIKeyDOERPTPCNSBRDJ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.92
Rot. Bonds5

About 3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine

3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943280) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943280
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(Cl)cc1C
InChIInChI=1S/C14H20ClNO2/c1-3-6-17-14-11(16)8-13(14)18-12-5-4-10(15)7-9(12)2/h4-5,7,11,13-14H,3,6,8,16H2,1-2H3
InChIKeyDOERPTPCNSBRDJ-UHFFFAOYSA-N
XLogP2.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943797
3-(4-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943282
3-(5-chloro-2-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943636
3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine
CID 107943680
2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene
CID 114018893
3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943305
3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943752
3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine
CID 107943855
2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 107943448
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943799
3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66359158
3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine
CID 107943277

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine (CID 107943280) is 3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(N)CC1Oc1ccc(Cl)cc1C.
What is the InChIKey of 3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is DOERPTPCNSBRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-6-17-14-11(16)8-13(14)18-12-5-4-10(15)7-9(12)2/h4-5,7,11,13-14H,3,6,8,16H2,1-2H3.
What are the key properties of 3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine?
3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine has a molecular weight of 269.77 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).