N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine

C13H17Cl2N — CID 64986692

IUPACN-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)C1CCC1
InChIInChI=1S/C13H17Cl2N/c1-2-16-13(9-5-3-6-9)10-7-4-8-11(14)12(10)15/h4,7-9,13,16H,2-3,5-6H2,1H3
InChIKeyLWKIULIJXBYXLH-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.44
Rot. Bonds4

About N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine

N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine (PubChem CID 64986692) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
PubChem CID64986692
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC NameN-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)C1CCC1
InChIInChI=1S/C13H17Cl2N/c1-2-16-13(9-5-3-6-9)10-7-4-8-11(14)12(10)15/h4,7-9,13,16H,2-3,5-6H2,1H3
InChIKeyLWKIULIJXBYXLH-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 65411327
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638
N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine
CID 64986462
N-[(2-chloro-3-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855904
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392706
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 105099639
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 64986342

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine (CID 64986692) is N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1Cl)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine?
The InChIKey is LWKIULIJXBYXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-2-16-13(9-5-3-6-9)10-7-4-8-11(14)12(10)15/h4,7-9,13,16H,2-3,5-6H2,1H3.
What are the key properties of N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine?
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine has a molecular weight of 258.19 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 64986692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).