3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine

C14H21NO2 — CID 106821544

IUPAC3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
SMILESCOc1ccc([C@H](C)NC2CC(OC)C2)cc1
InChIInChI=1S/C14H21NO2/c1-10(15-12-8-14(9-12)17-3)11-4-6-13(16-2)7-5-11/h4-7,10,12,14-15H,8-9H2,1-3H3/t10-,12?,14?/m0/s1
InChIKeyVBWOENXDKCXHPK-JKDOVBDQSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds5

About 3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine

3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine (PubChem CID 106821544) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
PubChem CID106821544
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
SMILESCOc1ccc([C@H](C)NC2CC(OC)C2)cc1
InChIInChI=1S/C14H21NO2/c1-10(15-12-8-14(9-12)17-3)11-4-6-13(16-2)7-5-11/h4-7,10,12,14-15H,8-9H2,1-3H3/t10-,12?,14?/m0/s1
InChIKeyVBWOENXDKCXHPK-JKDOVBDQSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584402
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429569
N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429583
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961016
3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine
CID 104584500
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine (CID 106821544) is 3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine is COc1ccc([C@H](C)NC2CC(OC)C2)cc1.
What is the InChIKey of 3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is VBWOENXDKCXHPK-JKDOVBDQSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(15-12-8-14(9-12)17-3)11-4-6-13(16-2)7-5-11/h4-7,10,12,14-15H,8-9H2,1-3H3/t10-,12?,14?/m0/s1.
What are the key properties of 3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine?
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 106821544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).