1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine

C15H21Cl2N — CID 114107390

IUPAC1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine
SMILESCCC1(CNC(C)c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C15H21Cl2N/c1-3-15(7-4-8-15)10-18-11(2)12-5-6-13(16)14(17)9-12/h5-6,9,11,18H,3-4,7-8,10H2,1-2H3
InChIKeyMTVNJGHJXDZATO-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.22
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine

1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine (PubChem CID 114107390) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine
PubChem CID114107390
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine
SMILESCCC1(CNC(C)c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C15H21Cl2N/c1-3-15(7-4-8-15)10-18-11(2)12-5-6-13(16)14(17)9-12/h5-6,9,11,18H,3-4,7-8,10H2,1-2H3
InChIKeyMTVNJGHJXDZATO-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 103734794
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124465
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 103903089
1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine
CID 114095532
1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine
CID 114107361
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694801
1-[[1-(3,4-dichlorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 65106925
N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548546
2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79854549
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-1-amine
CID 113287377

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine (CID 114107390) is 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine is CCC1(CNC(C)c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine?
The InChIKey is MTVNJGHJXDZATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-3-15(7-4-8-15)10-18-11(2)12-5-6-13(16)14(17)9-12/h5-6,9,11,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine?
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine has a molecular weight of 286.25 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 114107390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).