3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine

C15H22ClNO2 — CID 107943752

IUPAC3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1cc(Cl)ccc1C
InChIInChI=1S/C15H22ClNO2/c1-4-7-18-15-12(17-3)9-14(15)19-13-8-11(16)6-5-10(13)2/h5-6,8,12,14-15,17H,4,7,9H2,1-3H3
InChIKeyNXEICEXTWNGPGL-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.18
Rot. Bonds6

About 3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine

3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine (PubChem CID 107943752) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
PubChem CID107943752
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1cc(Cl)ccc1C
InChIInChI=1S/C15H22ClNO2/c1-4-7-18-15-12(17-3)9-14(15)19-13-8-11(16)6-5-10(13)2/h5-6,8,12,14-15,17H,4,7,9H2,1-3H3
InChIKeyNXEICEXTWNGPGL-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943282
3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104675939
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943799
N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine
CID 107943604
3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943870
N-methyl-3-(5-methyl-2-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943203
3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943280
N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943241
N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943205
N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943243
N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943730
N-methyl-2-propoxy-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine
CID 107943502

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine (CID 107943752) is 3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine is CCCOC1C(NC)CC1Oc1cc(Cl)ccc1C.
What is the InChIKey of 3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine?
The InChIKey is NXEICEXTWNGPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-7-18-15-12(17-3)9-14(15)19-13-8-11(16)6-5-10(13)2/h5-6,8,12,14-15,17H,4,7,9H2,1-3H3.
What are the key properties of 3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine?
3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).