N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine

C18H26Cl2N2O — CID 13279952

IUPACN-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine
SMILESCN(CCN1CCOCC1)CC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C18H26Cl2N2O/c1-21(7-8-22-9-11-23-12-10-22)14-18(5-2-6-18)15-3-4-16(19)17(20)13-15/h3-4,13H,2,5-12,14H2,1H3
InChIKeyPDWJUJYLKWCHHE-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.68
Rot. Bonds6

About N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine

N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine (PubChem CID 13279952) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine
PubChem CID13279952
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC NameN-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine
SMILESCN(CCN1CCOCC1)CC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C18H26Cl2N2O/c1-21(7-8-22-9-11-23-12-10-22)14-18(5-2-6-18)15-3-4-16(19)17(20)13-15/h3-4,13H,2,5-12,14H2,1H3
InChIKeyPDWJUJYLKWCHHE-UHFFFAOYSA-N
XLogP3.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butyl-4-[2-(3,4-dichloro-phenyl)-ethyl]-piperazine
CID 44313950
1-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)-4-methylpiperazine
CID 53317144
[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(2-piperidin-1-yl-ethyl)-amine
CID 9883360
4-[3-(4-Chlorophenyl)-4-methylpentyl]morpholine
CID 17583223
4-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)morpholine
CID 53323762
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767240
1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-pentyl-piperazine
CID 44314123
(3R)-3-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-2,3,4,7-tetrahydroazepine
CID 71541097
4-(3,4-Dichlorophenethyl)Morpholine
CID 71716507
1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-(2-ethoxyethyl)-3-methylbutan-1-amine
CID 89928551
4-[2-(4-Chlorophenyl)propyl]morpholine
CID 71726193
N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine
CID 46244221

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine (CID 13279952) is N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine is CN(CCN1CCOCC1)CC1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine?
The InChIKey is PDWJUJYLKWCHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c1-21(7-8-22-9-11-23-12-10-22)14-18(5-2-6-18)15-3-4-16(19)17(20)13-15/h3-4,13H,2,5-12,14H2,1H3.
What are the key properties of N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine?
N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine has a molecular weight of 357.33 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]-N-methyl-2-morpholin-4-ylethanamine is sourced from PubChem (CID 13279952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).