N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine

C17H27NO — CID 66425933

IUPACN-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2cc(C)cc(C)c2)CCC1C
InChIInChI=1S/C17H27NO/c1-13-9-14(2)11-16(10-13)17(6-5-15(17)3)12-18-7-8-19-4/h9-11,15,18H,5-8,12H2,1-4H3
InChIKeyLZMSZGDYEQVCJB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.21
Rot. Bonds6

About N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine

N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 66425933) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
PubChem CID66425933
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2cc(C)cc(C)c2)CCC1C
InChIInChI=1S/C17H27NO/c1-13-9-14(2)11-16(10-13)17(6-5-15(17)3)12-18-7-8-19-4/h9-11,15,18H,5-8,12H2,1-4H3
InChIKeyLZMSZGDYEQVCJB-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.21
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-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine
CID 66424740
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66424340
N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66426140
2-methoxy-N-[(2-methyl-1-pyridin-3-ylcyclopentyl)methyl]ethanamine
CID 80522892
N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65011254
N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66430141
N-methyl-1-[2-methyl-1-(3-methylphenyl)cyclobutyl]methanamine
CID 66423749
N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66432799
2-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508203
N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66424938
2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine
CID 114199465
2-methoxy-N-[[5-(4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
CID 65008191

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine (CID 66425933) is N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine is COCCNCC1(c2cc(C)cc(C)c2)CCC1C.
What is the InChIKey of N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is LZMSZGDYEQVCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-9-14(2)11-16(10-13)17(6-5-15(17)3)12-18-7-8-19-4/h9-11,15,18H,5-8,12H2,1-4H3.
What are the key properties of N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine?
N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66425933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).