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

C15H23NO2 — CID 107943241

IUPACN-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-4-8-17-15-13(16-3)10-14(15)18-12-7-5-6-11(2)9-12/h5-7,9,13-16H,4,8,10H2,1-3H3
InChIKeyBGVOXQWUUQFLQR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.53
Rot. Bonds6

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

N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943241) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943241
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NC)CC1Oc1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-4-8-17-15-13(16-3)10-14(15)18-12-7-5-6-11(2)9-12/h5-7,9,13-16H,4,8,10H2,1-3H3
InChIKeyBGVOXQWUUQFLQR-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943205
3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676021
N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine
CID 107943604
3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676314
N-methyl-3-(5-methyl-2-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943203
3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
CID 107943234
N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943185
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943799
3-(4-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943282
3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943752
N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine
CID 63474175
3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943870

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine (CID 107943241) is N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(NC)CC1Oc1cccc(C)c1.
What is the InChIKey of N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is BGVOXQWUUQFLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-8-17-15-13(16-3)10-14(15)18-12-7-5-6-11(2)9-12/h5-7,9,13-16H,4,8,10H2,1-3H3.
What are the key properties of N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine?
N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).