N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine

C17H25NO3 — CID 104759729

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCC3(OC)CCOC3)C2)c1
InChIInChI=1S/C17H25NO3/c1-19-16-5-3-4-13(10-16)14-8-15(9-14)18-11-17(20-2)6-7-21-12-17/h3-5,10,14-15,18H,6-9,11-12H2,1-2H3
InChIKeyPHNBSMZONHHBLB-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.34
Rot. Bonds6

About N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine

N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine (PubChem CID 104759729) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
PubChem CID104759729
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCC3(OC)CCOC3)C2)c1
InChIInChI=1S/C17H25NO3/c1-19-16-5-3-4-13(10-16)14-8-15(9-14)18-11-17(20-2)6-7-21-12-17/h3-5,10,14-15,18H,6-9,11-12H2,1-2H3
InChIKeyPHNBSMZONHHBLB-UHFFFAOYSA-N
XLogP2.34
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Cyclopentylamino)-3-(2-isopropyl-5-methylphenoxy)-2-propanol hydrochloride
CID 2969124
N-[2-(5-isopropyl-2-methylphenoxy)ethyl]-3-methoxy-1-propanamine
CID 2299870
1-((1-Methylethyl)amino)-3-(3-(1-methylpropyl)phenoxy)-2-propanol
CID 170739
4-(3-ethylphenoxy)-N-(2-methoxyethyl)-1-butanamine
CID 2298496
N-(sec-butyl)-4-(3-isopropyl-5-methylphenoxy)-1-butanamine
CID 2934783
(3S,5S)-5-benzhydryl-N-[2-(4-methoxyphenyl)ethyl]oxolan-3-amine
CID 73057692
2-methoxy-3-(3-methylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 90668694
3-Benzofuranmethylamine, 2,3-dihydro-2-ethyl-N-(2-methoxyethyl)-
CID 56383
rel-(3R,4S)-1-(2-ethoxyethyl)-4-(3-methoxyphenyl)-3-pyrrolidinamine dihydrochloride
CID 72933470
3-((3-Methoxybenzyl)oxy)pyrrolidine hydrochloride
CID 53409421
(1r,3r)-3-(3-methoxyphenyl)-N-methylcyclobutan-1-amine hydrochloride
CID 121552971
3-(1-(3-Methoxyphenyl)ethyl)pyrrolidine hydrochloride
CID 122163727

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine (CID 104759729) is N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine is COc1cccc(C2CC(NCC3(OC)CCOC3)C2)c1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is PHNBSMZONHHBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-16-5-3-4-13(10-16)14-8-15(9-14)18-11-17(20-2)6-7-21-12-17/h3-5,10,14-15,18H,6-9,11-12H2,1-2H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 291.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 104759729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).