N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine

C18H28BrNO — CID 65014971

IUPACN-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccc(Br)cc2)CC(C(C)(C)C)C1
InChIInChI=1S/C18H28BrNO/c1-17(2,3)15-11-18(12-15,13-20-9-10-21-4)14-5-7-16(19)8-6-14/h5-8,15,20H,9-13H2,1-4H3
InChIKeyWXQWSIZUYPNWRB-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.38
Rot. Bonds6

About N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine

N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 65014971) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
PubChem CID65014971
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC NameN-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccc(Br)cc2)CC(C(C)(C)C)C1
InChIInChI=1S/C18H28BrNO/c1-17(2,3)15-11-18(12-15,13-20-9-10-21-4)14-5-7-16(19)8-6-14/h5-8,15,20H,9-13H2,1-4H3
InChIKeyWXQWSIZUYPNWRB-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.38
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-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014533
N-[[3-tert-butyl-1-(3-fluorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 65014382
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65014923
N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 65014676
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine
CID 65014922
N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine
CID 65014519
N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine
CID 65014238
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62596223
N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine
CID 62713015
2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
CID 65008191
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine
CID 80525289

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine (CID 65014971) is N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine is COCCNCC1(c2ccc(Br)cc2)CC(C(C)(C)C)C1.
What is the InChIKey of N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is WXQWSIZUYPNWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-17(2,3)15-11-18(12-15,13-20-9-10-21-4)14-5-7-16(19)8-6-14/h5-8,15,20H,9-13H2,1-4H3.
What are the key properties of N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine?
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine has a molecular weight of 354.33 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65014971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).