N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine

C17H25Cl2N — CID 65003717

IUPACN-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine
SMILESCCNCC1(c2c(Cl)cccc2Cl)CC(CC)(CC)C1
InChIInChI=1S/C17H25Cl2N/c1-4-16(5-2)10-17(11-16,12-20-6-3)15-13(18)8-7-9-14(15)19/h7-9,20H,4-6,10-12H2,1-3H3
InChIKeyGPSYMEHYJXVUCC-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.44
Rot. Bonds6

About N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine

N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine (PubChem CID 65003717) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine
PubChem CID65003717
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC NameN-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine
SMILESCCNCC1(c2c(Cl)cccc2Cl)CC(CC)(CC)C1
InChIInChI=1S/C17H25Cl2N/c1-4-16(5-2)10-17(11-16,12-20-6-3)15-13(18)8-7-9-14(15)19/h7-9,20H,4-6,10-12H2,1-3H3
InChIKeyGPSYMEHYJXVUCC-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2-chloro-6-fluorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine
CID 65004069
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine
CID 65004114
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008495
N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
CID 65008338
N-[[5-(2-chloro-6-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008933
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine
CID 65003420
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008548
N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine
CID 64997625
N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65003222
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595847
1-(3-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 115696036

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine (CID 65003717) is N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine is CCNCC1(c2c(Cl)cccc2Cl)CC(CC)(CC)C1.
What is the InChIKey of N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine?
The InChIKey is GPSYMEHYJXVUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-4-16(5-2)10-17(11-16,12-20-6-3)15-13(18)8-7-9-14(15)19/h7-9,20H,4-6,10-12H2,1-3H3.
What are the key properties of N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine?
N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine has a molecular weight of 314.30 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine is sourced from PubChem (CID 65003717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).