N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine

C17H27NO — CID 65010847

IUPACN-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine
SMILESCCCC1CC(CNCC)(c2cccc(OC)c2)C1
InChIInChI=1S/C17H27NO/c1-4-7-14-11-17(12-14,13-18-5-2)15-8-6-9-16(10-15)19-3/h6,8-10,14,18H,4-5,7,11-13H2,1-3H3
InChIKeyWBWCZRUNXGFRAH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.75
Rot. Bonds7

About N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine

N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine (PubChem CID 65010847) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine
PubChem CID65010847
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine
SMILESCCCC1CC(CNCC)(c2cccc(OC)c2)C1
InChIInChI=1S/C17H27NO/c1-4-7-14-11-17(12-14,13-18-5-2)15-8-6-9-16(10-15)19-3/h6,8-10,14,18H,4-5,7,11-13H2,1-3H3
InChIKeyWBWCZRUNXGFRAH-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65010904
N-[[1-(3-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014047
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine
CID 65013584
[3-(methoxymethyl)-3-(3-methoxyphenyl)cyclobutyl]methanamine
CID 115040907
N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
CID 65353208
N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
CID 65010957
N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine
CID 65014238
3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
CID 64997497
N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65013877
N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65011254
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62595549
N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine
CID 80522419

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine (CID 65010847) is N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine is CCCC1CC(CNCC)(c2cccc(OC)c2)C1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine?
The InChIKey is WBWCZRUNXGFRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-7-14-11-17(12-14,13-18-5-2)15-8-6-9-16(10-15)19-3/h6,8-10,14,18H,4-5,7,11-13H2,1-3H3.
What are the key properties of N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine?
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine is sourced from PubChem (CID 65010847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).