N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine

C21H27NO2 — CID 173168921

IUPACN,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine
SMILESCN(C)CCOC1CC(c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C21H27NO2/c1-22(2)11-12-23-21-14-19(15-21)18-9-6-10-20(13-18)24-16-17-7-4-3-5-8-17/h3-10,13,19,21H,11-12,14-16H2,1-2H3
InChIKeyLDCZSXODHGKCKA-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.09
Rot. Bonds8

About N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine

N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine (PubChem CID 173168921) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine
PubChem CID173168921
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine
SMILESCN(C)CCOC1CC(c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C21H27NO2/c1-22(2)11-12-23-21-14-19(15-21)18-9-6-10-20(13-18)24-16-17-7-4-3-5-8-17/h3-10,13,19,21H,11-12,14-16H2,1-2H3
InChIKeyLDCZSXODHGKCKA-UHFFFAOYSA-N
XLogP4.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylcyclohexyl)-3-phenylmethoxybenzene
CID 174634961
2-[[6-methoxy-1-(3-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-dimethylethanamine
CID 3466428
1-(3,3-dimethoxycyclohexyl)-3-phenylmethoxybenzene
CID 18955609
3-(3-phenylmethoxyphenyl)cyclohexan-1-one
CID 18955612
5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 4565972
(4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7811036
tert-butyl 3-(3-phenylmethoxyphenyl)azetidine-1-carboxylate
CID 71463776
2-phenylethyl (4S)-6-methyl-2-oxo-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1110660
N-[(2E)-3-bromo-1-[4-(3-phenylmethoxyphenyl)cyclohexyl]oxypenta-2,4-dien-2-yl]methanimine
CID 163370258
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
(3S)-3-(3-phenylmethoxyphenyl)morpholine
CID 171193333
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine (CID 173168921) is N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine is CN(C)CCOC1CC(c2cccc(OCc3ccccc3)c2)C1.
What is the InChIKey of N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine?
The InChIKey is LDCZSXODHGKCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-22(2)11-12-23-21-14-19(15-21)18-9-6-10-20(13-18)24-16-17-7-4-3-5-8-17/h3-10,13,19,21H,11-12,14-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine?
N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine has a molecular weight of 325.45 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine is sourced from PubChem (CID 173168921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).