N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine

C16H24ClNO — CID 64997846

IUPACN-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2cccc(Cl)c2)CC(C)(C)C1
InChIInChI=1S/C16H24ClNO/c1-15(2)10-16(11-15,12-18-7-8-19-3)13-5-4-6-14(17)9-13/h4-6,9,18H,7-8,10-12H2,1-3H3
InChIKeySWMWOMNCQAIPAA-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.63
Rot. Bonds6

About N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine

N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 64997846) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine
PubChem CID64997846
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2cccc(Cl)c2)CC(C)(C)C1
InChIInChI=1S/C16H24ClNO/c1-15(2)10-16(11-15,12-18-7-8-19-3)13-5-4-6-14(17)9-13/h4-6,9,18H,7-8,10-12H2,1-3H3
InChIKeySWMWOMNCQAIPAA-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.63
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-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 65014676
N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
CID 65008662
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008765
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62596223
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine
CID 65003420
2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine
CID 64997529
N-[[3-tert-butyl-1-(3-fluorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 65014382
N-[[1-(3-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014047
N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64997970
N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine
CID 62595688
N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 64998082

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine (CID 64997846) is N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine is COCCNCC1(c2cccc(Cl)c2)CC(C)(C)C1.
What is the InChIKey of N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is SWMWOMNCQAIPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-15(2)10-16(11-15,12-18-7-8-19-3)13-5-4-6-14(17)9-13/h4-6,9,18H,7-8,10-12H2,1-3H3.
What are the key properties of N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine?
N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine has a molecular weight of 281.83 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 64997846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).