N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine

C18H28ClNO — CID 65014676

IUPACN-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2cccc(Cl)c2)CC(C(C)(C)C)C1
InChIInChI=1S/C18H28ClNO/c1-17(2,3)15-11-18(12-15,13-20-8-9-21-4)14-6-5-7-16(19)10-14/h5-7,10,15,20H,8-9,11-13H2,1-4H3
InChIKeyJLODBUNMTIVLRC-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.27
Rot. Bonds6

About N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine

N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 65014676) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
PubChem CID65014676
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2cccc(Cl)c2)CC(C(C)(C)C)C1
InChIInChI=1S/C18H28ClNO/c1-17(2,3)15-11-18(12-15,13-20-8-9-21-4)14-6-5-7-16(19)10-14/h5-7,10,15,20H,8-9,11-13H2,1-4H3
InChIKeyJLODBUNMTIVLRC-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.27
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-[[3-tert-butyl-1-(3-fluorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 65014382
N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine
CID 64997846
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014971
N-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014533
N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine
CID 65014238
N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 64998082
N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine
CID 65014519
N-[[1-(3-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014047
3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine
CID 115035321
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62596223
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617
N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine
CID 114229873

Frequently Asked Questions

What is the IUPAC name of N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine (CID 65014676) is N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine is COCCNCC1(c2cccc(Cl)c2)CC(C(C)(C)C)C1.
What is the InChIKey of N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is JLODBUNMTIVLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-17(2,3)15-11-18(12-15,13-20-8-9-21-4)14-6-5-7-16(19)10-14/h5-7,10,15,20H,8-9,11-13H2,1-4H3.
What are the key properties of N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine?
N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine has a molecular weight of 309.88 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65014676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).