N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine

C16H23Cl2N — CID 64997625

IUPACN-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine
SMILESCCC1CC(CNC(C)C)(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H23Cl2N/c1-4-12-8-16(9-12,10-19-11(2)3)15-13(17)6-5-7-14(15)18/h5-7,11-12,19H,4,8-10H2,1-3H3
InChIKeyVEJIDADEEUDISF-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.05
Rot. Bonds5

About N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine

N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine (PubChem CID 64997625) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine
PubChem CID64997625
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine
SMILESCCC1CC(CNC(C)C)(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H23Cl2N/c1-4-12-8-16(9-12,10-19-11(2)3)15-13(17)6-5-7-14(15)18/h5-7,11-12,19H,4,8-10H2,1-3H3
InChIKeyVEJIDADEEUDISF-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998212
N-[(3-ethyl-1-pyridin-3-ylcyclobutyl)methyl]propan-2-amine
CID 80522808
N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine
CID 64998005
N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine
CID 64997706
N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998152
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62596205
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 102859001
N-[[1-(2-chloro-6-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65013581
N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine
CID 65003717
N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
CID 65011194
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718517

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine (CID 64997625) is N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine is CCC1CC(CNC(C)C)(c2c(Cl)cccc2Cl)C1.
What is the InChIKey of N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine?
The InChIKey is VEJIDADEEUDISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-4-12-8-16(9-12,10-19-11(2)3)15-13(17)6-5-7-14(15)18/h5-7,11-12,19H,4,8-10H2,1-3H3.
What are the key properties of N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine?
N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine has a molecular weight of 300.27 g/mol, XLogP of 5.05, 5 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-ethylcyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 64997625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).