N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine

C15H21Cl2NO — CID 66424340

IUPACN-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccc(Cl)c(Cl)c2)CCC1C
InChIInChI=1S/C15H21Cl2NO/c1-11-5-6-15(11,10-18-7-8-19-2)12-3-4-13(16)14(17)9-12/h3-4,9,11,18H,5-8,10H2,1-2H3
InChIKeyUSNSNGLVPBHIPP-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.90
Rot. Bonds6

About N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine

N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 66424340) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
PubChem CID66424340
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC NameN-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccc(Cl)c(Cl)c2)CCC1C
InChIInChI=1S/C15H21Cl2NO/c1-11-5-6-15(11,10-18-7-8-19-2)12-3-4-13(16)14(17)9-12/h3-4,9,11,18H,5-8,10H2,1-2H3
InChIKeyUSNSNGLVPBHIPP-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.90
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine (CID 66424340) is N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine is COCCNCC1(c2ccc(Cl)c(Cl)c2)CCC1C.
What is the InChIKey of N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is USNSNGLVPBHIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-11-5-6-15(11,10-18-7-8-19-2)12-3-4-13(16)14(17)9-12/h3-4,9,11,18H,5-8,10H2,1-2H3.
What are the key properties of N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine?
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine has a molecular weight of 302.25 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66424340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).