N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine

C19H31NO — CID 65011254

IUPACN-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCCCC1CC(CNCCOC)(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C19H31NO/c1-5-6-17-12-19(13-17,14-20-7-8-21-4)18-10-15(2)9-16(3)11-18/h9-11,17,20H,5-8,12-14H2,1-4H3
InChIKeyUIQSMEVILPPCQA-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.99
Rot. Bonds8

About N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine

N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 65011254) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
PubChem CID65011254
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCCCC1CC(CNCCOC)(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C19H31NO/c1-5-6-17-12-19(13-17,14-20-7-8-21-4)18-10-15(2)9-16(3)11-18/h9-11,17,20H,5-8,12-14H2,1-4H3
InChIKeyUIQSMEVILPPCQA-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(3-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014047
N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 64998082
N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
CID 65011194
N-[[1-(3,5-difluorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
CID 65011198
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65013702
N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66425933
N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62595001
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine
CID 65010847
N-[[1-(2,4-dichlorophenyl)-3-ethylcyclobutyl]methyl]-2-methoxyethanamine
CID 64997475
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014971
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65010904
N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
CID 65010957

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine (CID 65011254) is N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine is CCCC1CC(CNCCOC)(c2cc(C)cc(C)c2)C1.
What is the InChIKey of N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is UIQSMEVILPPCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-6-17-12-19(13-17,14-20-7-8-21-4)18-10-15(2)9-16(3)11-18/h9-11,17,20H,5-8,12-14H2,1-4H3.
What are the key properties of N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine?
N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine has a molecular weight of 289.46 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65011254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).