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

C18H28BrNO — CID 65014533

IUPACN-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccccc2Br)CC(C(C)(C)C)C1
InChIInChI=1S/C18H28BrNO/c1-17(2,3)14-11-18(12-14,13-20-9-10-21-4)15-7-5-6-8-16(15)19/h5-8,14,20H,9-13H2,1-4H3
InChIKeyGYBZKEYUBJYZHY-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.38
Rot. Bonds6

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

N-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 65014533) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
PubChem CID65014533
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC NameN-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccccc2Br)CC(C(C)(C)C)C1
InChIInChI=1S/C18H28BrNO/c1-17(2,3)14-11-18(12-14,13-20-9-10-21-4)15-7-5-6-8-16(15)19/h5-8,14,20H,9-13H2,1-4H3
InChIKeyGYBZKEYUBJYZHY-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

(2-Bromobenzyl)(2-methoxy-1-methylethyl)amine
CID 2850590
N-[2-(2-bromophenyl)ethyl]-2,2-dimethoxyethanamine
CID 11077054
3-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
CID 55106685
2-[(4-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 55107239
2-[(2-bromo-4-fluorophenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 55111111
2-[(3-bromo-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 55111154
2-[(4-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55111487
2-[(5-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55111488
2-[(5-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 55111622
2-[(2-bromo-5-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 55111672
2-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 62550620
2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 62550808

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine (CID 65014533) is N-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine is COCCNCC1(c2ccccc2Br)CC(C(C)(C)C)C1.
What is the InChIKey of N-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is GYBZKEYUBJYZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-17(2,3)14-11-18(12-14,13-20-9-10-21-4)15-7-5-6-8-16(15)19/h5-8,14,20H,9-13H2,1-4H3.
What are the key properties of N-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine?
N-[[1-(2-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-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65014533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).